7-[(3-chlorobenzoyl)amino]-4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-9H-carbazole-1-carboxamide

C34H24ClFN4O3 — CID 141366085

IUPAC7-[(3-chlorobenzoyl)amino]-4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-9H-carbazole-1-carboxamide
SMILESCc1c(NC(=O)c2ccc(F)cc2)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(NC(=O)c4cccc(Cl)c4)ccc3c12
InChIInChI=1S/C34H24ClFN4O3/c1-18-24(6-3-7-28(18)40-33(42)19-8-10-22(36)11-9-19)25-14-15-27(32(37)41)31-30(25)26-13-12-23(17-29(26)39-31)38-34(43)20-4-2-5-21(35)16-20/h2-17,39H,1H3,(H2,37,41)(H,38,43)(H,40,42)
InChIKeyKRQNNPUFLXXRRG-UHFFFAOYSA-N
MW591.04 g/mol
LogP7.69
Rot. Bonds6

About 7-[(3-chlorobenzoyl)amino]-4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-9H-carbazole-1-carboxamide

7-[(3-chlorobenzoyl)amino]-4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-9H-carbazole-1-carboxamide (PubChem CID 141366085) has the molecular formula C34H24ClFN4O3 and a molecular weight of 591.04 g/mol. Its IUPAC name is 7-[(3-chlorobenzoyl)amino]-4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name7-[(3-chlorobenzoyl)amino]-4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-9H-carbazole-1-carboxamide
PubChem CID141366085
Molecular FormulaC34H24ClFN4O3
Molecular Weight591.04 g/mol
Exact Mass590.15
IUPAC Name7-[(3-chlorobenzoyl)amino]-4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-9H-carbazole-1-carboxamide
SMILESCc1c(NC(=O)c2ccc(F)cc2)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(NC(=O)c4cccc(Cl)c4)ccc3c12
InChIInChI=1S/C34H24ClFN4O3/c1-18-24(6-3-7-28(18)40-33(42)19-8-10-22(36)11-9-19)25-14-15-27(32(37)41)31-30(25)26-13-12-23(17-29(26)39-31)38-34(43)20-4-2-5-21(35)16-20/h2-17,39H,1H3,(H2,37,41)(H,38,43)(H,40,42)
InChIKeyKRQNNPUFLXXRRG-UHFFFAOYSA-N
XLogP7.69
TPSA117.08 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.04
LogP ≤ 57.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-chlorobenzoyl)amino]-4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-9H-carbazole-1-carboxamide?
The IUPAC name of 7-[(3-chlorobenzoyl)amino]-4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-9H-carbazole-1-carboxamide (CID 141366085) is 7-[(3-chlorobenzoyl)amino]-4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-9H-carbazole-1-carboxamide.
What is the SMILES notation for 7-[(3-chlorobenzoyl)amino]-4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-9H-carbazole-1-carboxamide?
The canonical SMILES for 7-[(3-chlorobenzoyl)amino]-4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-9H-carbazole-1-carboxamide is Cc1c(NC(=O)c2ccc(F)cc2)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(NC(=O)c4cccc(Cl)c4)ccc3c12.
What is the InChIKey of 7-[(3-chlorobenzoyl)amino]-4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-9H-carbazole-1-carboxamide?
The InChIKey is KRQNNPUFLXXRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24ClFN4O3/c1-18-24(6-3-7-28(18)40-33(42)19-8-10-22(36)11-9-19)25-14-15-27(32(37)41)31-30(25)26-13-12-23(17-29(26)39-31)38-34(43)20-4-2-5-21(35)16-20/h2-17,39H,1H3,(H2,37,41)(H,38,43)(H,40,42).
What are the key properties of 7-[(3-chlorobenzoyl)amino]-4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-9H-carbazole-1-carboxamide?
7-[(3-chlorobenzoyl)amino]-4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-9H-carbazole-1-carboxamide has a molecular weight of 591.04 g/mol, XLogP of 7.69, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-chlorobenzoyl)amino]-4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-9H-carbazole-1-carboxamide is sourced from PubChem (CID 141366085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).