4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-N-(3-methoxyphenyl)-9H-carbazole-1,7-dicarboxamide

C35H27FN4O4 — CID 141366023

IUPAC4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-N-(3-methoxyphenyl)-9H-carbazole-1,7-dicarboxamide
SMILESCOc1cccc(NC(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4cccc(NC(=O)c5ccc(F)cc5)c4C)c23)c1
InChIInChI=1S/C35H27FN4O4/c1-19-25(7-4-8-29(19)40-34(42)20-9-12-22(36)13-10-20)26-15-16-28(33(37)41)32-31(26)27-14-11-21(17-30(27)39-32)35(43)38-23-5-3-6-24(18-23)44-2/h3-18,39H,1-2H3,(H2,37,41)(H,38,43)(H,40,42)
InChIKeyYPBHXEDULWDLTC-UHFFFAOYSA-N
MW586.62 g/mol
LogP7.05
Rot. Bonds7

About 4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-N-(3-methoxyphenyl)-9H-carbazole-1,7-dicarboxamide

4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-N-(3-methoxyphenyl)-9H-carbazole-1,7-dicarboxamide (PubChem CID 141366023) has the molecular formula C35H27FN4O4 and a molecular weight of 586.62 g/mol. Its IUPAC name is 4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-N-(3-methoxyphenyl)-9H-carbazole-1,7-dicarboxamide.

Molecular Properties

Compound Name4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-N-(3-methoxyphenyl)-9H-carbazole-1,7-dicarboxamide
PubChem CID141366023
Molecular FormulaC35H27FN4O4
Molecular Weight586.62 g/mol
Exact Mass586.20
IUPAC Name4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-N-(3-methoxyphenyl)-9H-carbazole-1,7-dicarboxamide
SMILESCOc1cccc(NC(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4cccc(NC(=O)c5ccc(F)cc5)c4C)c23)c1
InChIInChI=1S/C35H27FN4O4/c1-19-25(7-4-8-29(19)40-34(42)20-9-12-22(36)13-10-20)26-15-16-28(33(37)41)32-31(26)27-14-11-21(17-30(27)39-32)35(43)38-23-5-3-6-24(18-23)44-2/h3-18,39H,1-2H3,(H2,37,41)(H,38,43)(H,40,42)
InChIKeyYPBHXEDULWDLTC-UHFFFAOYSA-N
XLogP7.05
TPSA126.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.62
LogP ≤ 57.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

7-(cyclopentylmethylamino)-4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-9H-carbazole-1-carboxamide
CID 141366153
4-[2-(aminomethyl)-3-[(4-fluorobenzoyl)amino]phenyl]-9H-carbazole-1,7-dicarboxamide
CID 174734483
4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide
CID 141366033
4-[2-(aminomethyl)-3-[(4-fluorobenzoyl)amino]phenyl]-7-N-benzyl-9H-carbazole-1,7-dicarboxamide
CID 174734175
4-[5-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 141366324
4-(3-anilino-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
CID 130362597
4-[2-(aminomethyl)-3-[(4-fluorobenzoyl)amino]phenyl]-7-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-9H-carbazole-1,7-dicarboxamide
CID 174734212
4-[2-(aminomethyl)-3-[(4-fluorobenzoyl)amino]phenyl]-7-[4-(hydroxymethyl)piperidine-1-carbonyl]-9H-carbazole-1-carboxamide
CID 174734552
4-[3-[(7-fluoroquinazolin-4-yl)amino]-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
CID 141365987
1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057463
2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923
3-benzamido-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 55630453

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-N-(3-methoxyphenyl)-9H-carbazole-1,7-dicarboxamide?
The IUPAC name of 4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-N-(3-methoxyphenyl)-9H-carbazole-1,7-dicarboxamide (CID 141366023) is 4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-N-(3-methoxyphenyl)-9H-carbazole-1,7-dicarboxamide.
What is the SMILES notation for 4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-N-(3-methoxyphenyl)-9H-carbazole-1,7-dicarboxamide?
The canonical SMILES for 4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-N-(3-methoxyphenyl)-9H-carbazole-1,7-dicarboxamide is COc1cccc(NC(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4cccc(NC(=O)c5ccc(F)cc5)c4C)c23)c1.
What is the InChIKey of 4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-N-(3-methoxyphenyl)-9H-carbazole-1,7-dicarboxamide?
The InChIKey is YPBHXEDULWDLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27FN4O4/c1-19-25(7-4-8-29(19)40-34(42)20-9-12-22(36)13-10-20)26-15-16-28(33(37)41)32-31(26)27-14-11-21(17-30(27)39-32)35(43)38-23-5-3-6-24(18-23)44-2/h3-18,39H,1-2H3,(H2,37,41)(H,38,43)(H,40,42).
What are the key properties of 4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-N-(3-methoxyphenyl)-9H-carbazole-1,7-dicarboxamide?
4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-N-(3-methoxyphenyl)-9H-carbazole-1,7-dicarboxamide has a molecular weight of 586.62 g/mol, XLogP of 7.05, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-N-(3-methoxyphenyl)-9H-carbazole-1,7-dicarboxamide is sourced from PubChem (CID 141366023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).