9-[(3-chloro-2-fluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide

C20H13ClF2N2O — CID 174417772

IUPAC9-[(3-chloro-2-fluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1cccc(F)c1n2Cc1cccc(Cl)c1F
InChIInChI=1S/C20H13ClF2N2O/c21-14-7-1-4-11(18(14)23)10-25-16-9-3-6-13(20(24)26)17(16)12-5-2-8-15(22)19(12)25/h1-9H,10H2,(H2,24,26)
InChIKeyLGLUERVWBRQYJL-UHFFFAOYSA-N
MW370.79 g/mol
LogP4.87
Rot. Bonds3

About 9-[(3-chloro-2-fluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide

9-[(3-chloro-2-fluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide (PubChem CID 174417772) has the molecular formula C20H13ClF2N2O and a molecular weight of 370.79 g/mol. Its IUPAC name is 9-[(3-chloro-2-fluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(3-chloro-2-fluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide
PubChem CID174417772
Molecular FormulaC20H13ClF2N2O
Molecular Weight370.79 g/mol
Exact Mass370.07
IUPAC Name9-[(3-chloro-2-fluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1cccc(F)c1n2Cc1cccc(Cl)c1F
InChIInChI=1S/C20H13ClF2N2O/c21-14-7-1-4-11(18(14)23)10-25-16-9-3-6-13(20(24)26)17(16)12-5-2-8-15(22)19(12)25/h1-9H,10H2,(H2,24,26)
InChIKeyLGLUERVWBRQYJL-UHFFFAOYSA-N
XLogP4.87
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-fluoro-9-[(2-phenoxyphenyl)methyl]carbazole-4-carboxamide
CID 174414251
8-fluoro-9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 175235633
9-[(3,4-difluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide
CID 174440659
8-fluoro-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide
CID 174444281
9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide
CID 174400319
9-[(3-carbamoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide
CID 174414814
8-chloro-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414627
9-[(2-chloro-6-fluorophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174400395
9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide
CID 70088178
8-fluoro-9-[(3-phenylmethoxyphenyl)methyl]carbazole-4-carboxamide
CID 174440705
9-[(2-fluoro-3-methylphenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174400303
9-[(3-benzoylphenyl)methyl]-8-chlorocarbazole-4-carboxamide
CID 174414642

Frequently Asked Questions

What is the IUPAC name of 9-[(3-chloro-2-fluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide?
The IUPAC name of 9-[(3-chloro-2-fluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide (CID 174417772) is 9-[(3-chloro-2-fluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide.
What is the SMILES notation for 9-[(3-chloro-2-fluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide?
The canonical SMILES for 9-[(3-chloro-2-fluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide is NC(=O)c1cccc2c1c1cccc(F)c1n2Cc1cccc(Cl)c1F.
What is the InChIKey of 9-[(3-chloro-2-fluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide?
The InChIKey is LGLUERVWBRQYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF2N2O/c21-14-7-1-4-11(18(14)23)10-25-16-9-3-6-13(20(24)26)17(16)12-5-2-8-15(22)19(12)25/h1-9H,10H2,(H2,24,26).
What are the key properties of 9-[(3-chloro-2-fluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide?
9-[(3-chloro-2-fluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide has a molecular weight of 370.79 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-chloro-2-fluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide is sourced from PubChem (CID 174417772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).