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

C30H27FN4O2 — CID 59375142

IUPAC4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-(propan-2-ylamino)-9H-carbazole-1-carboxamide
SMILESCc1c(NC(=O)c2ccc(F)cc2)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(NC(C)C)ccc3c12
InChIInChI=1S/C30H27FN4O2/c1-16(2)33-20-11-12-23-26(15-20)34-28-24(29(32)36)14-13-22(27(23)28)21-5-4-6-25(17(21)3)35-30(37)18-7-9-19(31)10-8-18/h4-16,33-34H,1-3H3,(H2,32,36)(H,35,37)
InChIKeyWXQVBIJFIJSDTL-UHFFFAOYSA-N
MW494.57 g/mol
LogP6.61
Rot. Bonds6

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

4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-(propan-2-ylamino)-9H-carbazole-1-carboxamide (PubChem CID 59375142) has the molecular formula C30H27FN4O2 and a molecular weight of 494.57 g/mol. Its IUPAC name is 4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-(propan-2-ylamino)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-(propan-2-ylamino)-9H-carbazole-1-carboxamide
PubChem CID59375142
Molecular FormulaC30H27FN4O2
Molecular Weight494.57 g/mol
Exact Mass494.21
IUPAC Name4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-(propan-2-ylamino)-9H-carbazole-1-carboxamide
SMILESCc1c(NC(=O)c2ccc(F)cc2)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(NC(C)C)ccc3c12
InChIInChI=1S/C30H27FN4O2/c1-16(2)33-20-11-12-23-26(15-20)34-28-24(29(32)36)14-13-22(27(23)28)21-5-4-6-25(17(21)3)35-30(37)18-7-9-19(31)10-8-18/h4-16,33-34H,1-3H3,(H2,32,36)(H,35,37)
InChIKeyWXQVBIJFIJSDTL-UHFFFAOYSA-N
XLogP6.61
TPSA100.01 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.57
LogP ≤ 56.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-(propan-2-ylamino)-9H-carbazole-1-carboxamide?
The IUPAC name of 4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-(propan-2-ylamino)-9H-carbazole-1-carboxamide (CID 59375142) is 4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-(propan-2-ylamino)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-(propan-2-ylamino)-9H-carbazole-1-carboxamide?
The canonical SMILES for 4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-(propan-2-ylamino)-9H-carbazole-1-carboxamide is Cc1c(NC(=O)c2ccc(F)cc2)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(NC(C)C)ccc3c12.
What is the InChIKey of 4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-(propan-2-ylamino)-9H-carbazole-1-carboxamide?
The InChIKey is WXQVBIJFIJSDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN4O2/c1-16(2)33-20-11-12-23-26(15-20)34-28-24(29(32)36)14-13-22(27(23)28)21-5-4-6-25(17(21)3)35-30(37)18-7-9-19(31)10-8-18/h4-16,33-34H,1-3H3,(H2,32,36)(H,35,37).
What are the key properties of 4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-(propan-2-ylamino)-9H-carbazole-1-carboxamide?
4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-(propan-2-ylamino)-9H-carbazole-1-carboxamide has a molecular weight of 494.57 g/mol, XLogP of 6.61, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-(propan-2-ylamino)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 59375142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).