3-amino-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;4-amino-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-4-(trifluoromethyl)benzamide

C107H121ClF4N12O16 — CID 160660378

IUPAC3-amino-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;4-amino-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)CCCN2CCOCC2)c(F)c1.Nc1ccc(C(=O)Nc2ccccc2C(=O)CCCN2CCOCC2)cc1.Nc1cccc(C(=O)Nc2ccccc2C(=O)CCCN2CCOCC2)c1.O=C(Nc1ccccc1C(=O)CCCN1CCOCC1)c1ccc(C(F)(F)F)cc1.O=C(Nc1ccccc1C(=O)CCCN1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C22H23F3N2O3.C22H25FN2O4.C21H23ClN2O3.2C21H25N3O3/c23-22(24,25)17-9-7-16(8-10-17)21(29)26-19-5-2-1-4-18(19)20(28)6-3-11-27-12-14-30-15-13-27;1-28-16-8-9-17(19(23)15-16)22(27)24-20-6-3-2-5-18(20)21(26)7-4-10-25-11-13-29-14-12-25;2*22-17-6-3-5-16(15-17)21(26)23-19-8-2-1-7-18(19)20(25)9-4-10-24-11-13-27-14-12-24;22-17-9-7-16(8-10-17)21(26)23-19-5-2-1-4-18(19)20(25)6-3-11-24-12-14-27-15-13-24/h1-2,4-5,7-10H,3,6,11-15H2,(H,26,29);2-3,5-6,8-9,15H,4,7,10-14H2,1H3,(H,24,27);1-3,5-8,15H,4,9-14H2,(H,23,26);1-3,5-8,15H,4,9-14,22H2,(H,23,26);1-2,4-5,7-10H,3,6,11-15,22H2,(H,23,26)
InChIKeyRLPDABGQWKGRFL-UHFFFAOYSA-N
MW1942.66 g/mol
LogP17.15
Rot. Bonds36

About 3-amino-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;4-amino-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-4-(trifluoromethyl)benzamide

3-amino-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;4-amino-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 160660378) has the molecular formula C107H121ClF4N12O16 and a molecular weight of 1942.66 g/mol. Its IUPAC name is 3-amino-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;4-amino-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;4-amino-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-4-(trifluoromethyl)benzamide
PubChem CID160660378
Molecular FormulaC107H121ClF4N12O16
Molecular Weight1942.66 g/mol
Exact Mass1940.86
IUPAC Name3-amino-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;4-amino-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)CCCN2CCOCC2)c(F)c1.Nc1ccc(C(=O)Nc2ccccc2C(=O)CCCN2CCOCC2)cc1.Nc1cccc(C(=O)Nc2ccccc2C(=O)CCCN2CCOCC2)c1.O=C(Nc1ccccc1C(=O)CCCN1CCOCC1)c1ccc(C(F)(F)F)cc1.O=C(Nc1ccccc1C(=O)CCCN1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C22H23F3N2O3.C22H25FN2O4.C21H23ClN2O3.2C21H25N3O3/c23-22(24,25)17-9-7-16(8-10-17)21(29)26-19-5-2-1-4-18(19)20(28)6-3-11-27-12-14-30-15-13-27;1-28-16-8-9-17(19(23)15-16)22(27)24-20-6-3-2-5-18(20)21(26)7-4-10-25-11-13-29-14-12-25;2*22-17-6-3-5-16(15-17)21(26)23-19-8-2-1-7-18(19)20(25)9-4-10-24-11-13-27-14-12-24;22-17-9-7-16(8-10-17)21(26)23-19-5-2-1-4-18(19)20(25)6-3-11-24-12-14-27-15-13-24/h1-2,4-5,7-10H,3,6,11-15H2,(H,26,29);2-3,5-6,8-9,15H,4,7,10-14H2,1H3,(H,24,27);1-3,5-8,15H,4,9-14H2,(H,23,26);1-3,5-8,15H,4,9-14,22H2,(H,23,26);1-2,4-5,7-10H,3,6,11-15,22H2,(H,23,26)
InChIKeyRLPDABGQWKGRFL-UHFFFAOYSA-N
XLogP17.15
TPSA354.47 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds36
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001942.66
LogP ≤ 517.15
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one;3-chloro-10-[2-(diethylamino)ethyl]-6-[3-(diethylamino)propyl]acridin-9-one;3-chloro-6-[3-(diethylamino)propyl]-10-(2-piperidin-1-ylethyl)acridin-9-one;3-chloro-6-(2-piperidin-1-ylethoxy)-10H-acridin-9-one;3-chloro-6-[5,6,6,6-tetrafluoro-5-(trifluoromethyl)hexoxy]-10H-acridin-9-one;10-[2-(diethylamino)ethyl]acridin-9-one
CID 158137189
N-[(4-benzamidophenyl)methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentylbenzamide;2-chloro-5-fluoro-N-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(4-pentylbenzoyl)amino]methyl]phenyl]benzamide;3-chloro-N-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(4-pentylbenzoyl)amino]methyl]phenyl]benzamide;2-ethoxy-N-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(4-pentylbenzoyl)amino]methyl]phenyl]benzamide;N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentyl-N-[[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]benzamide;4-methyl-N-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(4-pentylbenzoyl)amino]methyl]phenyl]benzamide
CID 158647895
3,6-bis[2-(diethylamino)ethoxy]-10H-acridin-9-one;3,6-bis[2-(diethylamino)ethoxy]-10-[2-(diethylamino)ethyl]acridin-9-one;3-chloro-6-[2-(diethylamino)ethoxy]-10-[2-(diethylamino)ethyl]acridin-9-one;3-chloro-10-[2-(diethylamino)ethyl]-6-[3-(diethylamino)propoxy]acridin-9-one;3-[2-(diethylamino)ethoxy]-10H-acridin-9-one;3-[2-(diethylamino)ethoxy]-10-[2-(diethylamino)ethyl]-6-(trifluoromethyl)acridin-9-one
CID 159031145
4-chloro-2-fluoro-N-(4-piperidin-3-ylphenyl)benzamide;4-ethoxy-N-(4-piperidin-3-ylphenyl)benzamide;N-(4-piperidin-3-ylphenyl)-4-(trifluoromethyl)benzamide
CID 159357785
4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-[4-(dimethylamino)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-fluorobenzoyl)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]propanamide;N-[(2S,4R)-2-methyl-1-(4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 161203153
2-fluoro-N-[3-fluoro-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;2-fluoro-N-[5-fluoro-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;2-fluoro-N-[5-methoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;2-methyl-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-3-(trifluoromethyl)benzamide
CID 162020735
2-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethyl)benzamide
CID 162150822
3-amino-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;4-amino-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;4-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide
CID 157263578
2-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-[(2-fluorobenzoyl)-methylamino]benzoic acid;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;4-methoxy-N-[2-(5-phenylpentanoyl)phenyl]benzamide
CID 158602210
N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-2-methyl-1-(4-morpholin-4-ylbenzoyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-[(2S,4R)-1-(4-methoxybenzoyl)-2,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide
CID 159015546
N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide;(4-chloro-3-nitrophenyl)-(3,5-dimethylpiperidin-1-yl)methanone;1-[4-(difluoromethoxy)phenyl]-2-(3,5-dimethylpiperidin-1-yl)ethanone;3,5-dimethyl-1-[(3-methyl-4-nitrophenyl)methyl]piperidine;(3,5-dimethylpiperidin-1-yl)-(4-fluorophenyl)methanone;(3,5-dimethylpiperidin-1-yl)-(3-methyl-4-nitrophenyl)methanone
CID 159637890
3-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2,4-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide
CID 161023173

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;4-amino-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 3-amino-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;4-amino-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-4-(trifluoromethyl)benzamide (CID 160660378) is 3-amino-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;4-amino-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-amino-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;4-amino-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 3-amino-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;4-amino-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-4-(trifluoromethyl)benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)CCCN2CCOCC2)c(F)c1.Nc1ccc(C(=O)Nc2ccccc2C(=O)CCCN2CCOCC2)cc1.Nc1cccc(C(=O)Nc2ccccc2C(=O)CCCN2CCOCC2)c1.O=C(Nc1ccccc1C(=O)CCCN1CCOCC1)c1ccc(C(F)(F)F)cc1.O=C(Nc1ccccc1C(=O)CCCN1CCOCC1)c1cccc(Cl)c1.
What is the InChIKey of 3-amino-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;4-amino-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is RLPDABGQWKGRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O3.C22H25FN2O4.C21H23ClN2O3.2C21H25N3O3/c23-22(24,25)17-9-7-16(8-10-17)21(29)26-19-5-2-1-4-18(19)20(28)6-3-11-27-12-14-30-15-13-27;1-28-16-8-9-17(19(23)15-16)22(27)24-20-6-3-2-5-18(20)21(26)7-4-10-25-11-13-29-14-12-25;2*22-17-6-3-5-16(15-17)21(26)23-19-8-2-1-7-18(19)20(25)9-4-10-24-11-13-27-14-12-24;22-17-9-7-16(8-10-17)21(26)23-19-5-2-1-4-18(19)20(25)6-3-11-24-12-14-27-15-13-24/h1-2,4-5,7-10H,3,6,11-15H2,(H,26,29);2-3,5-6,8-9,15H,4,7,10-14H2,1H3,(H,24,27);1-3,5-8,15H,4,9-14H2,(H,23,26);1-3,5-8,15H,4,9-14,22H2,(H,23,26);1-2,4-5,7-10H,3,6,11-15,22H2,(H,23,26).
What are the key properties of 3-amino-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;4-amino-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-4-(trifluoromethyl)benzamide?
3-amino-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;4-amino-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 1942.66 g/mol, XLogP of 17.15, 36 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;4-amino-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 160660378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).