2-fluoro-N-[2,3,4-trimethoxy-6-(5-phenylpentanoyl)phenyl]benzamide;N-[2-methoxy-6-(4-phenylbutanoyl)phenyl]naphthalene-2-carboxamide;bis(N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide);N-[2-(4-piperazin-1-ylbutanoyl)phenyl]-4-(trifluoromethyl)benzamide

C135H131F4N7O16 — CID 159387718

IUPAC2-fluoro-N-[2,3,4-trimethoxy-6-(5-phenylpentanoyl)phenyl]benzamide;N-[2-methoxy-6-(4-phenylbutanoyl)phenyl]naphthalene-2-carboxamide;bis(N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide);N-[2-(4-piperazin-1-ylbutanoyl)phenyl]-4-(trifluoromethyl)benzamide
SMILESCOc1cc(C(=O)CCCCc2ccccc2)c(NC(=O)c2ccccc2F)c(OC)c1OC.COc1cccc(C(=O)CCCCc2ccccc2)c1NC(=O)c1ccc2ccccc2c1.COc1cccc(C(=O)CCCCc2ccccc2)c1NC(=O)c1ccc2ccccc2c1.COc1cccc(C(=O)CCCc2ccccc2)c1NC(=O)c1ccc2ccccc2c1.O=C(Nc1ccccc1C(=O)CCCN1CCNCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/2C29H27NO3.C28H25NO3.C27H28FNO5.C22H24F3N3O2/c2*1-33-27-17-9-15-25(26(31)16-8-5-12-21-10-3-2-4-11-21)28(27)30-29(32)24-19-18-22-13-6-7-14-23(22)20-24;1-32-26-16-8-14-24(25(30)15-7-11-20-9-3-2-4-10-20)27(26)29-28(31)23-18-17-21-12-5-6-13-22(21)19-23;1-32-23-17-20(22(30)16-10-7-13-18-11-5-4-6-12-18)24(26(34-3)25(23)33-2)29-27(31)19-14-8-9-15-21(19)28;23-22(24,25)17-9-7-16(8-10-17)21(30)27-19-5-2-1-4-18(19)20(29)6-3-13-28-14-11-26-12-15-28/h2*2-4,6-7,9-11,13-15,17-20H,5,8,12,16H2,1H3,(H,30,32);2-6,8-10,12-14,16-19H,7,11,15H2,1H3,(H,29,31);4-6,8-9,11-12,14-15,17H,7,10,13,16H2,1-3H3,(H,29,31);1-2,4-5,7-10,26H,3,6,11-15H2,(H,27,30)
InChIKeyLLSFMYDZWBWIJH-UHFFFAOYSA-N
MW2183.56 g/mol
LogP29.22
Rot. Bonds44

About 2-fluoro-N-[2,3,4-trimethoxy-6-(5-phenylpentanoyl)phenyl]benzamide;N-[2-methoxy-6-(4-phenylbutanoyl)phenyl]naphthalene-2-carboxamide;bis(N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide);N-[2-(4-piperazin-1-ylbutanoyl)phenyl]-4-(trifluoromethyl)benzamide

2-fluoro-N-[2,3,4-trimethoxy-6-(5-phenylpentanoyl)phenyl]benzamide;N-[2-methoxy-6-(4-phenylbutanoyl)phenyl]naphthalene-2-carboxamide;bis(N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide);N-[2-(4-piperazin-1-ylbutanoyl)phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 159387718) has the molecular formula C135H131F4N7O16 and a molecular weight of 2183.56 g/mol. Its IUPAC name is 2-fluoro-N-[2,3,4-trimethoxy-6-(5-phenylpentanoyl)phenyl]benzamide;N-[2-methoxy-6-(4-phenylbutanoyl)phenyl]naphthalene-2-carboxamide;bis(N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide);N-[2-(4-piperazin-1-ylbutanoyl)phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2,3,4-trimethoxy-6-(5-phenylpentanoyl)phenyl]benzamide;N-[2-methoxy-6-(4-phenylbutanoyl)phenyl]naphthalene-2-carboxamide;bis(N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide);N-[2-(4-piperazin-1-ylbutanoyl)phenyl]-4-(trifluoromethyl)benzamide
PubChem CID159387718
Molecular FormulaC135H131F4N7O16
Molecular Weight2183.56 g/mol
Exact Mass2181.96
IUPAC Name2-fluoro-N-[2,3,4-trimethoxy-6-(5-phenylpentanoyl)phenyl]benzamide;N-[2-methoxy-6-(4-phenylbutanoyl)phenyl]naphthalene-2-carboxamide;bis(N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide);N-[2-(4-piperazin-1-ylbutanoyl)phenyl]-4-(trifluoromethyl)benzamide
SMILESCOc1cc(C(=O)CCCCc2ccccc2)c(NC(=O)c2ccccc2F)c(OC)c1OC.COc1cccc(C(=O)CCCCc2ccccc2)c1NC(=O)c1ccc2ccccc2c1.COc1cccc(C(=O)CCCCc2ccccc2)c1NC(=O)c1ccc2ccccc2c1.COc1cccc(C(=O)CCCc2ccccc2)c1NC(=O)c1ccc2ccccc2c1.O=C(Nc1ccccc1C(=O)CCCN1CCNCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/2C29H27NO3.C28H25NO3.C27H28FNO5.C22H24F3N3O2/c2*1-33-27-17-9-15-25(26(31)16-8-5-12-21-10-3-2-4-11-21)28(27)30-29(32)24-19-18-22-13-6-7-14-23(22)20-24;1-32-26-16-8-14-24(25(30)15-7-11-20-9-3-2-4-10-20)27(26)29-28(31)23-18-17-21-12-5-6-13-22(21)19-23;1-32-23-17-20(22(30)16-10-7-13-18-11-5-4-6-12-18)24(26(34-3)25(23)33-2)29-27(31)19-14-8-9-15-21(19)28;23-22(24,25)17-9-7-16(8-10-17)21(30)27-19-5-2-1-4-18(19)20(29)6-3-13-28-14-11-26-12-15-28/h2*2-4,6-7,9-11,13-15,17-20H,5,8,12,16H2,1H3,(H,30,32);2-6,8-10,12-14,16-19H,7,11,15H2,1H3,(H,29,31);4-6,8-9,11-12,14-15,17H,7,10,13,16H2,1-3H3,(H,29,31);1-2,4-5,7-10,26H,3,6,11-15H2,(H,27,30)
InChIKeyLLSFMYDZWBWIJH-UHFFFAOYSA-N
XLogP29.22
TPSA301.50 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds44
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002183.56
LogP ≤ 529.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-[2,3,4-trimethoxy-6-(5-phenylpentanoyl)phenyl]benzamide;N-[2-methoxy-6-(4-phenylbutanoyl)phenyl]naphthalene-2-carboxamide;bis(N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide);N-[2-(4-piperazin-1-ylbutanoyl)phenyl]-4-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-[4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-2-methoxyphenyl]-5-fluoro-9-oxo-10H-acridine-4-carboxamide
CID 19974536
1-[2-amino-3-[[5-[(Z)-2-[2-[[(Z)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]-3,4-dimethoxyphenyl]ethenyl]-2,3-dimethoxyphenoxy]methyl]phenyl]-3-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-2-methylpropan-1-one
CID 134378138
N-[4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-2-methoxyphenyl]-2-(5-fluoro-9-oxo-10H-acridin-4-yl)acetamide
CID 139770117
N-[4-[3-[(3,4-dimethoxyphenyl)methyl-methylamino]propoxy]-2-methoxyphenyl]-2-(5-fluoro-9-oxo-10H-acridin-4-yl)acetamide
CID 139770123
N-[4,5-dimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]-2-fluorobenzamide;3-fluoro-N-[2-methoxy-6-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;4-fluoro-N-[2-methoxy-6-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;4-methoxy-N-[2-methoxy-6-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-3-(trifluoromethyl)benzamide
CID 158534523
2-fluoro-N-[2,3,4-trimethoxy-6-(5-phenylpentanoyl)phenyl]benzamide;N-[2-methoxy-6-(4-phenylbutanoyl)phenyl]naphthalene-2-carboxamide;N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-(4-piperazin-1-ylbutanoyl)phenyl]-4-(trifluoromethyl)benzamide
CID 161919646
2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;N-[2-methoxy-6-(5-morpholin-4-ylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 162046471
N-(2-amino-4-fluorophenyl)-4-[[[2-[[3-hydroxy-7-methoxy-4-oxo-2-[2-(trifluoromethyl)phenyl]-1H-quinolin-6-yl]oxy]acetyl]amino]methyl]benzamide
CID 178263945
N-(2,4-dimethoxyphenyl)-2-[8-(4-fluorobenzoyl)-9-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]acetamide
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N-(2,4-Dimethoxyphenyl)-2-[3-(4-fluorobenzoyl)-6,7-dimethoxy-4-oxo-1,4-dihydroquinolin-1-YL]acetamide
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methyl 3,4,5-trimethoxy-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoate
CID 22724735
N-(2-aminophenyl)-4-[[4,5-dimethoxy-2-(3,4,5-trimethoxybenzoyl)anilino]methyl]benzamide
CID 58930440

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2,3,4-trimethoxy-6-(5-phenylpentanoyl)phenyl]benzamide;N-[2-methoxy-6-(4-phenylbutanoyl)phenyl]naphthalene-2-carboxamide;bis(N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide);N-[2-(4-piperazin-1-ylbutanoyl)phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[2,3,4-trimethoxy-6-(5-phenylpentanoyl)phenyl]benzamide;N-[2-methoxy-6-(4-phenylbutanoyl)phenyl]naphthalene-2-carboxamide;bis(N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide);N-[2-(4-piperazin-1-ylbutanoyl)phenyl]-4-(trifluoromethyl)benzamide (CID 159387718) is 2-fluoro-N-[2,3,4-trimethoxy-6-(5-phenylpentanoyl)phenyl]benzamide;N-[2-methoxy-6-(4-phenylbutanoyl)phenyl]naphthalene-2-carboxamide;bis(N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide);N-[2-(4-piperazin-1-ylbutanoyl)phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[2,3,4-trimethoxy-6-(5-phenylpentanoyl)phenyl]benzamide;N-[2-methoxy-6-(4-phenylbutanoyl)phenyl]naphthalene-2-carboxamide;bis(N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide);N-[2-(4-piperazin-1-ylbutanoyl)phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[2,3,4-trimethoxy-6-(5-phenylpentanoyl)phenyl]benzamide;N-[2-methoxy-6-(4-phenylbutanoyl)phenyl]naphthalene-2-carboxamide;bis(N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide);N-[2-(4-piperazin-1-ylbutanoyl)phenyl]-4-(trifluoromethyl)benzamide is COc1cc(C(=O)CCCCc2ccccc2)c(NC(=O)c2ccccc2F)c(OC)c1OC.COc1cccc(C(=O)CCCCc2ccccc2)c1NC(=O)c1ccc2ccccc2c1.COc1cccc(C(=O)CCCCc2ccccc2)c1NC(=O)c1ccc2ccccc2c1.COc1cccc(C(=O)CCCc2ccccc2)c1NC(=O)c1ccc2ccccc2c1.O=C(Nc1ccccc1C(=O)CCCN1CCNCC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-fluoro-N-[2,3,4-trimethoxy-6-(5-phenylpentanoyl)phenyl]benzamide;N-[2-methoxy-6-(4-phenylbutanoyl)phenyl]naphthalene-2-carboxamide;bis(N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide);N-[2-(4-piperazin-1-ylbutanoyl)phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is LLSFMYDZWBWIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H27NO3.C28H25NO3.C27H28FNO5.C22H24F3N3O2/c2*1-33-27-17-9-15-25(26(31)16-8-5-12-21-10-3-2-4-11-21)28(27)30-29(32)24-19-18-22-13-6-7-14-23(22)20-24;1-32-26-16-8-14-24(25(30)15-7-11-20-9-3-2-4-10-20)27(26)29-28(31)23-18-17-21-12-5-6-13-22(21)19-23;1-32-23-17-20(22(30)16-10-7-13-18-11-5-4-6-12-18)24(26(34-3)25(23)33-2)29-27(31)19-14-8-9-15-21(19)28;23-22(24,25)17-9-7-16(8-10-17)21(30)27-19-5-2-1-4-18(19)20(29)6-3-13-28-14-11-26-12-15-28/h2*2-4,6-7,9-11,13-15,17-20H,5,8,12,16H2,1H3,(H,30,32);2-6,8-10,12-14,16-19H,7,11,15H2,1H3,(H,29,31);4-6,8-9,11-12,14-15,17H,7,10,13,16H2,1-3H3,(H,29,31);1-2,4-5,7-10,26H,3,6,11-15H2,(H,27,30).
What are the key properties of 2-fluoro-N-[2,3,4-trimethoxy-6-(5-phenylpentanoyl)phenyl]benzamide;N-[2-methoxy-6-(4-phenylbutanoyl)phenyl]naphthalene-2-carboxamide;bis(N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide);N-[2-(4-piperazin-1-ylbutanoyl)phenyl]-4-(trifluoromethyl)benzamide?
2-fluoro-N-[2,3,4-trimethoxy-6-(5-phenylpentanoyl)phenyl]benzamide;N-[2-methoxy-6-(4-phenylbutanoyl)phenyl]naphthalene-2-carboxamide;bis(N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide);N-[2-(4-piperazin-1-ylbutanoyl)phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 2183.56 g/mol, XLogP of 29.22, 44 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2,3,4-trimethoxy-6-(5-phenylpentanoyl)phenyl]benzamide;N-[2-methoxy-6-(4-phenylbutanoyl)phenyl]naphthalene-2-carboxamide;bis(N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide);N-[2-(4-piperazin-1-ylbutanoyl)phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 159387718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).