9-[(3-carbamoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide

C21H16ClN3O2 — CID 174414814

IUPAC9-[(3-carbamoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide
SMILESNC(=O)c1cccc(Cn2c3cccc(C(N)=O)c3c3cccc(Cl)c32)c1
InChIInChI=1S/C21H16ClN3O2/c22-16-8-2-6-14-18-15(21(24)27)7-3-9-17(18)25(19(14)16)11-12-4-1-5-13(10-12)20(23)26/h1-10H,11H2,(H2,23,26)(H2,24,27)
InChIKeyKSPYAVHRGLATGC-UHFFFAOYSA-N
MW377.83 g/mol
LogP3.69
Rot. Bonds4

About 9-[(3-carbamoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide

9-[(3-carbamoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide (PubChem CID 174414814) has the molecular formula C21H16ClN3O2 and a molecular weight of 377.83 g/mol. Its IUPAC name is 9-[(3-carbamoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(3-carbamoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide
PubChem CID174414814
Molecular FormulaC21H16ClN3O2
Molecular Weight377.83 g/mol
Exact Mass377.09
IUPAC Name9-[(3-carbamoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide
SMILESNC(=O)c1cccc(Cn2c3cccc(C(N)=O)c3c3cccc(Cl)c32)c1
InChIInChI=1S/C21H16ClN3O2/c22-16-8-2-6-14-18-15(21(24)27)7-3-9-17(18)25(19(14)16)11-12-4-1-5-13(10-12)20(23)26/h1-10H,11H2,(H2,23,26)(H2,24,27)
InChIKeyKSPYAVHRGLATGC-UHFFFAOYSA-N
XLogP3.69
TPSA91.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(3-benzoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide
CID 174414642
8-chloro-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414627
9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174418283
9-[(3,4-difluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide
CID 174440659
9-[(3-chloro-2-fluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide
CID 174417772
9-[(3-chloro-4-methylphenyl)methyl]carbazole-4-carboxamide
CID 174414833
9-[(3-bromophenyl)methyl]carbazole-4-carboxamide
CID 174401032
8-fluoro-9-[(3-phenylmethoxyphenyl)methyl]carbazole-4-carboxamide
CID 174440705
7-(2,6-dichlorophenyl)-9-[(3-iodophenyl)methyl]carbazole-4-carboxamide
CID 174414314
9-[(3-chloro-4-methylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 175235943
9-[(4-benzoylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 174417858
9-[(3-cyanophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
CID 174414740

Frequently Asked Questions

What is the IUPAC name of 9-[(3-carbamoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide?
The IUPAC name of 9-[(3-carbamoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide (CID 174414814) is 9-[(3-carbamoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide.
What is the SMILES notation for 9-[(3-carbamoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide?
The canonical SMILES for 9-[(3-carbamoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide is NC(=O)c1cccc(Cn2c3cccc(C(N)=O)c3c3cccc(Cl)c32)c1.
What is the InChIKey of 9-[(3-carbamoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide?
The InChIKey is KSPYAVHRGLATGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2/c22-16-8-2-6-14-18-15(21(24)27)7-3-9-17(18)25(19(14)16)11-12-4-1-5-13(10-12)20(23)26/h1-10H,11H2,(H2,23,26)(H2,24,27).
What are the key properties of 9-[(3-carbamoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide?
9-[(3-carbamoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide has a molecular weight of 377.83 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-carbamoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide is sourced from PubChem (CID 174414814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).