9-[(2-chloro-6-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide

C26H17Cl2FN2O — CID 174400395

IUPAC9-[(2-chloro-6-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3ccc(Cl)cc3)cc1n2Cc1c(F)cccc1Cl
InChIInChI=1S/C26H17Cl2FN2O/c27-17-10-7-15(8-11-17)16-9-12-18-24(13-16)31(14-20-21(28)4-2-5-22(20)29)23-6-1-3-19(25(18)23)26(30)32/h1-13H,14H2,(H2,30,32)
InChIKeyJRLRNYJJSFYKMK-UHFFFAOYSA-N
MW463.34 g/mol
LogP7.05
Rot. Bonds4

About 9-[(2-chloro-6-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide

9-[(2-chloro-6-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide (PubChem CID 174400395) has the molecular formula C26H17Cl2FN2O and a molecular weight of 463.34 g/mol. Its IUPAC name is 9-[(2-chloro-6-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(2-chloro-6-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
PubChem CID174400395
Molecular FormulaC26H17Cl2FN2O
Molecular Weight463.34 g/mol
Exact Mass462.07
IUPAC Name9-[(2-chloro-6-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3ccc(Cl)cc3)cc1n2Cc1c(F)cccc1Cl
InChIInChI=1S/C26H17Cl2FN2O/c27-17-10-7-15(8-11-17)16-9-12-18-24(13-16)31(14-20-21(28)4-2-5-22(20)29)23-6-1-3-19(25(18)23)26(30)32/h1-13H,14H2,(H2,30,32)
InChIKeyJRLRNYJJSFYKMK-UHFFFAOYSA-N
XLogP7.05
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.34
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-[(2-chloro-6-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-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-[(2-chloro-6-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174423994
9-[(4-bromo-2-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174414567
9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174400985
9-[(2,6-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 175233547
9-[(2-chloro-6-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
CID 174400045
7-(4-chlorophenyl)-9-[(2,3,5-trifluorophenyl)methyl]carbazole-4-carboxamide
CID 174414809
9-[(4-bromophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174414760
9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7-phenylcarbazole-4-carboxamide
CID 174414496
9-[(2-bromo-5-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174414505
7-(4-chlorophenyl)-9-(furan-3-ylmethyl)carbazole-4-carboxamide
CID 174399731
9-[(2,6-dichlorophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
CID 174440701
9-[(2,6-difluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174399417

Frequently Asked Questions

What is the IUPAC name of 9-[(2-chloro-6-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide?
The IUPAC name of 9-[(2-chloro-6-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide (CID 174400395) is 9-[(2-chloro-6-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide.
What is the SMILES notation for 9-[(2-chloro-6-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide?
The canonical SMILES for 9-[(2-chloro-6-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(-c3ccc(Cl)cc3)cc1n2Cc1c(F)cccc1Cl.
What is the InChIKey of 9-[(2-chloro-6-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide?
The InChIKey is JRLRNYJJSFYKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl2FN2O/c27-17-10-7-15(8-11-17)16-9-12-18-24(13-16)31(14-20-21(28)4-2-5-22(20)29)23-6-1-3-19(25(18)23)26(30)32/h1-13H,14H2,(H2,30,32).
What are the key properties of 9-[(2-chloro-6-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide?
9-[(2-chloro-6-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide has a molecular weight of 463.34 g/mol, XLogP of 7.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-chloro-6-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide is sourced from PubChem (CID 174400395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).