9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide

C26H19ClN2O — CID 174400985

IUPAC9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3ccccc3)cc1n2Cc1ccc(Cl)cc1
InChIInChI=1S/C26H19ClN2O/c27-20-12-9-17(10-13-20)16-29-23-8-4-7-22(26(28)30)25(23)21-14-11-19(15-24(21)29)18-5-2-1-3-6-18/h1-15H,16H2,(H2,28,30)
InChIKeyYEUIACTZQBAJPI-UHFFFAOYSA-N
MW410.90 g/mol
LogP6.26
Rot. Bonds4

About 9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide

9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide (PubChem CID 174400985) has the molecular formula C26H19ClN2O and a molecular weight of 410.90 g/mol. Its IUPAC name is 9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide
PubChem CID174400985
Molecular FormulaC26H19ClN2O
Molecular Weight410.90 g/mol
Exact Mass410.12
IUPAC Name9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3ccccc3)cc1n2Cc1ccc(Cl)cc1
InChIInChI=1S/C26H19ClN2O/c27-20-12-9-17(10-13-20)16-29-23-8-4-7-22(26(28)30)25(23)21-14-11-19(15-24(21)29)18-5-2-1-3-6-18/h1-15H,16H2,(H2,28,30)
InChIKeyYEUIACTZQBAJPI-UHFFFAOYSA-N
XLogP6.26
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.90
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[(4-bromophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174414760
9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174424042
7-(4-chlorophenyl)-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide
CID 175233517
7-(4-chlorophenyl)-9-(furan-3-ylmethyl)carbazole-4-carboxamide
CID 174399731
9-[(3-acetamidophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174401014
7-(4-chlorophenyl)-9-[(2-phenoxyphenyl)methyl]carbazole-4-carboxamide
CID 174414665
9-[(2-chloro-6-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174400395
7-(4-chlorophenyl)-9-[(2-methoxyphenyl)methyl]carbazole-4-carboxamide
CID 174417826
7-(4-chlorophenyl)-9-[(2-methylsulfonylphenyl)methyl]carbazole-4-carboxamide
CID 174418464
7-(4-chlorophenyl)-9-[(2,3,5-trifluorophenyl)methyl]carbazole-4-carboxamide
CID 174414809
7-(4-methoxyphenyl)-9-[(4-methylphenyl)methyl]carbazole-4-carboxamide
CID 174401048
9-[(4-bromo-2-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174414567

Frequently Asked Questions

What is the IUPAC name of 9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide?
The IUPAC name of 9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide (CID 174400985) is 9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide.
What is the SMILES notation for 9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide?
The canonical SMILES for 9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(-c3ccccc3)cc1n2Cc1ccc(Cl)cc1.
What is the InChIKey of 9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide?
The InChIKey is YEUIACTZQBAJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN2O/c27-20-12-9-17(10-13-20)16-29-23-8-4-7-22(26(28)30)25(23)21-14-11-19(15-24(21)29)18-5-2-1-3-6-18/h1-15H,16H2,(H2,28,30).
What are the key properties of 9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide?
9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide has a molecular weight of 410.90 g/mol, XLogP of 6.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide is sourced from PubChem (CID 174400985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).