9-[(3-chloro-4-methylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide

C22H19ClN2O2 — CID 175235943

IUPAC9-[(3-chloro-4-methylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
SMILESCc1ccc(Cn2c3cc(CO)ccc3c3c(C(N)=O)cccc32)cc1Cl
InChIInChI=1S/C22H19ClN2O2/c1-13-5-6-14(9-18(13)23)11-25-19-4-2-3-17(22(24)27)21(19)16-8-7-15(12-26)10-20(16)25/h2-10,26H,11-12H2,1H3,(H2,24,27)
InChIKeyZSRMRKOODYICJH-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.40
Rot. Bonds4

About 9-[(3-chloro-4-methylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide

9-[(3-chloro-4-methylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide (PubChem CID 175235943) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is 9-[(3-chloro-4-methylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(3-chloro-4-methylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
PubChem CID175235943
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC Name9-[(3-chloro-4-methylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
SMILESCc1ccc(Cn2c3cc(CO)ccc3c3c(C(N)=O)cccc32)cc1Cl
InChIInChI=1S/C22H19ClN2O2/c1-13-5-6-14(9-18(13)23)11-25-19-4-2-3-17(22(24)27)21(19)16-8-7-15(12-26)10-20(16)25/h2-10,26H,11-12H2,1H3,(H2,24,27)
InChIKeyZSRMRKOODYICJH-UHFFFAOYSA-N
XLogP4.40
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-[(3-chloro-4-methylphenyl)methyl]-7-(hydroxymethyl)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-[(3-chloro-4-methylphenyl)methyl]carbazole-4-carboxamide
CID 174414833
9-[(3-chloro-4-methylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
CID 174418424
7-(hydroxymethyl)-9-[(3-iodophenyl)methyl]carbazole-4-carboxamide
CID 174417942
9-[(4-ethoxyphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 174417543
9-[(4-benzoylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 174417858
9-[(3,5-dichlorophenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174400697
7-(hydroxymethyl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide
CID 174400343
9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174418283
9-[(2-benzylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 174417531
9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174424042
7-ethyl-9-(pyridin-4-ylmethyl)carbazole-4-carboxamide
CID 174414362
7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide
CID 174417581

Frequently Asked Questions

What is the IUPAC name of 9-[(3-chloro-4-methylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide?
The IUPAC name of 9-[(3-chloro-4-methylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide (CID 175235943) is 9-[(3-chloro-4-methylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide.
What is the SMILES notation for 9-[(3-chloro-4-methylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide?
The canonical SMILES for 9-[(3-chloro-4-methylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide is Cc1ccc(Cn2c3cc(CO)ccc3c3c(C(N)=O)cccc32)cc1Cl.
What is the InChIKey of 9-[(3-chloro-4-methylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide?
The InChIKey is ZSRMRKOODYICJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c1-13-5-6-14(9-18(13)23)11-25-19-4-2-3-17(22(24)27)21(19)16-8-7-15(12-26)10-20(16)25/h2-10,26H,11-12H2,1H3,(H2,24,27).
What are the key properties of 9-[(3-chloro-4-methylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide?
9-[(3-chloro-4-methylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide has a molecular weight of 378.86 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-chloro-4-methylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide is sourced from PubChem (CID 175235943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).