2,6-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3,5-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;N-[2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide

C111H126F5N15O12 — CID 157304277

IUPAC2,6-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3,5-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;N-[2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide
SMILESCN1CCN(CCCC(=O)c2ccccc2NC(=O)c2ccccc2F)CC1.COc1ccc(C(=O)Nc2ccccc2C(=O)CCCN2CCNCC2)cc1.O=C(CCCN1CCNCC1)c1ccccc1NC(=O)c1c(F)cccc1F.O=C(NCCCN1CCOCC1)c1ccccc1NC(=O)c1cccc2ccccc12.O=C(Nc1ccccc1C(=O)CCCN1CCNCC1)c1cc(F)cc(F)c1
InChIInChI=1S/C25H27N3O3.C22H26FN3O2.C22H27N3O3.2C21H23F2N3O2/c29-24(26-13-6-14-28-15-17-31-18-16-28)22-10-3-4-12-23(22)27-25(30)21-11-5-8-19-7-1-2-9-20(19)21;1-25-13-15-26(16-14-25)12-6-11-21(27)18-8-3-5-10-20(18)24-22(28)17-7-2-4-9-19(17)23;1-28-18-10-8-17(9-11-18)22(27)24-20-6-3-2-5-19(20)21(26)7-4-14-25-15-12-23-13-16-25;22-16-6-3-7-17(23)20(16)21(28)25-18-8-2-1-5-15(18)19(27)9-4-12-26-13-10-24-11-14-26;22-16-12-15(13-17(23)14-16)21(28)25-19-5-2-1-4-18(19)20(27)6-3-9-26-10-7-24-8-11-26/h1-5,7-12H,6,13-18H2,(H,26,29)(H,27,30);2-5,7-10H,6,11-16H2,1H3,(H,24,28);2-3,5-6,8-11,23H,4,7,12-16H2,1H3,(H,24,27);1-3,5-8,24H,4,9-14H2,(H,25,28);1-2,4-5,12-14,24H,3,6-11H2,(H,25,28)
InChIKeyBCGOVHPYOSIOJU-UHFFFAOYSA-N
MW1957.31 g/mol
LogP15.82
Rot. Bonds36

About 2,6-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3,5-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;N-[2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide

2,6-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3,5-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;N-[2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide (PubChem CID 157304277) has the molecular formula C111H126F5N15O12 and a molecular weight of 1957.31 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3,5-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;N-[2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3,5-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;N-[2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide
PubChem CID157304277
Molecular FormulaC111H126F5N15O12
Molecular Weight1957.31 g/mol
Exact Mass1955.96
IUPAC Name2,6-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3,5-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;N-[2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide
SMILESCN1CCN(CCCC(=O)c2ccccc2NC(=O)c2ccccc2F)CC1.COc1ccc(C(=O)Nc2ccccc2C(=O)CCCN2CCNCC2)cc1.O=C(CCCN1CCNCC1)c1ccccc1NC(=O)c1c(F)cccc1F.O=C(NCCCN1CCOCC1)c1ccccc1NC(=O)c1cccc2ccccc12.O=C(Nc1ccccc1C(=O)CCCN1CCNCC1)c1cc(F)cc(F)c1
InChIInChI=1S/C25H27N3O3.C22H26FN3O2.C22H27N3O3.2C21H23F2N3O2/c29-24(26-13-6-14-28-15-17-31-18-16-28)22-10-3-4-12-23(22)27-25(30)21-11-5-8-19-7-1-2-9-20(19)21;1-25-13-15-26(16-14-25)12-6-11-21(27)18-8-3-5-10-20(18)24-22(28)17-7-2-4-9-19(17)23;1-28-18-10-8-17(9-11-18)22(27)24-20-6-3-2-5-19(20)21(26)7-4-14-25-15-12-23-13-16-25;22-16-6-3-7-17(23)20(16)21(28)25-18-8-2-1-5-15(18)19(27)9-4-12-26-13-10-24-11-14-26;22-16-12-15(13-17(23)14-16)21(28)25-19-5-2-1-4-18(19)20(27)6-3-9-26-10-7-24-8-11-26/h1-5,7-12H,6,13-18H2,(H,26,29)(H,27,30);2-5,7-10H,6,11-16H2,1H3,(H,24,28);2-3,5-6,8-11,23H,4,7,12-16H2,1H3,(H,24,27);1-3,5-8,24H,4,9-14H2,(H,25,28);1-2,4-5,12-14,24H,3,6-11H2,(H,25,28)
InChIKeyBCGOVHPYOSIOJU-UHFFFAOYSA-N
XLogP15.82
TPSA316.87 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds36
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001957.31
LogP ≤ 515.82
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 2,6-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3,5-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;N-[2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-methoxy-2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 118913457
2-[(4-methylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 8781780
2-[3-(4-methoxyphenyl)propanoylamino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 8781754
4-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide
CID 146717960
4-fluoro-2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 118913406
N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-4-methoxybenzamide
CID 146931849
4-methoxy-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide
CID 147839137
3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 17462757
3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 31568208
2-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447369
2-fluoro-4-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 154794863
2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 8781822

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3,5-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;N-[2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of 2,6-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3,5-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;N-[2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide (CID 157304277) is 2,6-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3,5-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;N-[2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for 2,6-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3,5-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;N-[2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for 2,6-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3,5-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;N-[2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide is CN1CCN(CCCC(=O)c2ccccc2NC(=O)c2ccccc2F)CC1.COc1ccc(C(=O)Nc2ccccc2C(=O)CCCN2CCNCC2)cc1.O=C(CCCN1CCNCC1)c1ccccc1NC(=O)c1c(F)cccc1F.O=C(NCCCN1CCOCC1)c1ccccc1NC(=O)c1cccc2ccccc12.O=C(Nc1ccccc1C(=O)CCCN1CCNCC1)c1cc(F)cc(F)c1.
What is the InChIKey of 2,6-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3,5-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;N-[2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide?
The InChIKey is BCGOVHPYOSIOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3.C22H26FN3O2.C22H27N3O3.2C21H23F2N3O2/c29-24(26-13-6-14-28-15-17-31-18-16-28)22-10-3-4-12-23(22)27-25(30)21-11-5-8-19-7-1-2-9-20(19)21;1-25-13-15-26(16-14-25)12-6-11-21(27)18-8-3-5-10-20(18)24-22(28)17-7-2-4-9-19(17)23;1-28-18-10-8-17(9-11-18)22(27)24-20-6-3-2-5-19(20)21(26)7-4-14-25-15-12-23-13-16-25;22-16-6-3-7-17(23)20(16)21(28)25-18-8-2-1-5-15(18)19(27)9-4-12-26-13-10-24-11-14-26;22-16-12-15(13-17(23)14-16)21(28)25-19-5-2-1-4-18(19)20(27)6-3-9-26-10-7-24-8-11-26/h1-5,7-12H,6,13-18H2,(H,26,29)(H,27,30);2-5,7-10H,6,11-16H2,1H3,(H,24,28);2-3,5-6,8-11,23H,4,7,12-16H2,1H3,(H,24,27);1-3,5-8,24H,4,9-14H2,(H,25,28);1-2,4-5,12-14,24H,3,6-11H2,(H,25,28).
What are the key properties of 2,6-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3,5-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;N-[2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide?
2,6-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3,5-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;N-[2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide has a molecular weight of 1957.31 g/mol, XLogP of 15.82, 36 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3,5-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;N-[2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 157304277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).