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

C33H31FN4O2 — CID 141366153

IUPAC7-(cyclopentylmethylamino)-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(NCC4CCCC4)ccc3c12
InChIInChI=1S/C33H31FN4O2/c1-19-24(7-4-8-28(19)38-33(40)21-9-11-22(34)12-10-21)25-15-16-27(32(35)39)31-30(25)26-14-13-23(17-29(26)37-31)36-18-20-5-2-3-6-20/h4,7-17,20,36-37H,2-3,5-6,18H2,1H3,(H2,35,39)(H,38,40)
InChIKeyOOWIWUJKTLEAHD-UHFFFAOYSA-N
MW534.64 g/mol
LogP7.39
Rot. Bonds7

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

7-(cyclopentylmethylamino)-4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-9H-carbazole-1-carboxamide (PubChem CID 141366153) has the molecular formula C33H31FN4O2 and a molecular weight of 534.64 g/mol. Its IUPAC name is 7-(cyclopentylmethylamino)-4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name7-(cyclopentylmethylamino)-4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-9H-carbazole-1-carboxamide
PubChem CID141366153
Molecular FormulaC33H31FN4O2
Molecular Weight534.64 g/mol
Exact Mass534.24
IUPAC Name7-(cyclopentylmethylamino)-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(NCC4CCCC4)ccc3c12
InChIInChI=1S/C33H31FN4O2/c1-19-24(7-4-8-28(19)38-33(40)21-9-11-22(34)12-10-21)25-15-16-27(32(35)39)31-30(25)26-14-13-23(17-29(26)37-31)36-18-20-5-2-3-6-20/h4,7-17,20,36-37H,2-3,5-6,18H2,1H3,(H2,35,39)(H,38,40)
InChIKeyOOWIWUJKTLEAHD-UHFFFAOYSA-N
XLogP7.39
TPSA100.01 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.64
LogP ≤ 57.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopentylmethylamino)-4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-9H-carbazole-1-carboxamide?
The IUPAC name of 7-(cyclopentylmethylamino)-4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-9H-carbazole-1-carboxamide (CID 141366153) is 7-(cyclopentylmethylamino)-4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-9H-carbazole-1-carboxamide.
What is the SMILES notation for 7-(cyclopentylmethylamino)-4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-9H-carbazole-1-carboxamide?
The canonical SMILES for 7-(cyclopentylmethylamino)-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(NCC4CCCC4)ccc3c12.
What is the InChIKey of 7-(cyclopentylmethylamino)-4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-9H-carbazole-1-carboxamide?
The InChIKey is OOWIWUJKTLEAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31FN4O2/c1-19-24(7-4-8-28(19)38-33(40)21-9-11-22(34)12-10-21)25-15-16-27(32(35)39)31-30(25)26-14-13-23(17-29(26)37-31)36-18-20-5-2-3-6-20/h4,7-17,20,36-37H,2-3,5-6,18H2,1H3,(H2,35,39)(H,38,40).
What are the key properties of 7-(cyclopentylmethylamino)-4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-9H-carbazole-1-carboxamide?
7-(cyclopentylmethylamino)-4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-9H-carbazole-1-carboxamide has a molecular weight of 534.64 g/mol, XLogP of 7.39, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopentylmethylamino)-4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-9H-carbazole-1-carboxamide is sourced from PubChem (CID 141366153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).