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

C34H32FN5O4 — CID 141366033

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

4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide (PubChem CID 141366033) has the molecular formula C34H32FN5O4 and a molecular weight of 593.66 g/mol. Its IUPAC name is 4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide.

Molecular Properties

• Compound Name: 4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide
• PubChem CID: 141366033
• Molecular Formula: C34H32FN5O4
• Molecular Weight: 593.66 g/mol
• Exact Mass: 593.24
• IUPAC Name: 4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide
• SMILES: Cc1c(NC(=O)c2ccc(F)cc2)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(C(=O)N4CCN(CCO)CC4)ccc3c12
• InChI: InChI=1S/C34H32FN5O4/c1-20-24(3-2-4-28(20)38-33(43)21-5-8-23(35)9-6-21)25-11-12-27(32(36)42)31-30(25)26-10-7-22(19-29(26)37-31)34(44)40-15-13-39(14-16-40)17-18-41/h2-12,19,37,41H,13-18H2,1H3,(H2,36,42)(H,38,43)
• InChIKey: CNFLXZHREIKVPU-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 131.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	593.66
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide?

The IUPAC name of 4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide (CID 141366033) is 4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide.

What is the SMILES notation for 4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide?

The canonical SMILES for 4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide is Cc1c(NC(=O)c2ccc(F)cc2)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(C(=O)N4CCN(CCO)CC4)ccc3c12.

What is the InChIKey of 4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide?

The InChIKey is CNFLXZHREIKVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32FN5O4/c1-20-24(3-2-4-28(20)38-33(43)21-5-8-23(35)9-6-21)25-11-12-27(32(36)42)31-30(25)26-10-7-22(19-29(26)37-31)34(44)40-15-13-39(14-16-40)17-18-41/h2-12,19,37,41H,13-18H2,1H3,(H2,36,42)(H,38,43).

What are the key properties of 4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide?

4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide has a molecular weight of 593.66 g/mol, XLogP of 4.54, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide is sourced from PubChem (CID 141366033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).