9-[(4-fluorophenyl)methyl]carbazole-4-carboxylic acid

C20H14FNO2 — CID 174930142

IUPAC9-[(4-fluorophenyl)methyl]carbazole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1c1ccccc1n2Cc1ccc(F)cc1
InChIInChI=1S/C20H14FNO2/c21-14-10-8-13(9-11-14)12-22-17-6-2-1-4-15(17)19-16(20(23)24)5-3-7-18(19)22/h1-11H,12H2,(H,23,24)
InChIKeyOZCBQDBZFBSIOQ-UHFFFAOYSA-N
MW319.34 g/mol
LogP4.68
Rot. Bonds3

About 9-[(4-fluorophenyl)methyl]carbazole-4-carboxylic acid

9-[(4-fluorophenyl)methyl]carbazole-4-carboxylic acid (PubChem CID 174930142) has the molecular formula C20H14FNO2 and a molecular weight of 319.34 g/mol. Its IUPAC name is 9-[(4-fluorophenyl)methyl]carbazole-4-carboxylic acid.

Molecular Properties

Compound Name9-[(4-fluorophenyl)methyl]carbazole-4-carboxylic acid
PubChem CID174930142
Molecular FormulaC20H14FNO2
Molecular Weight319.34 g/mol
Exact Mass319.10
IUPAC Name9-[(4-fluorophenyl)methyl]carbazole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1c1ccccc1n2Cc1ccc(F)cc1
InChIInChI=1S/C20H14FNO2/c21-14-10-8-13(9-11-14)12-22-17-6-2-1-4-15(17)19-16(20(23)24)5-3-7-18(19)22/h1-11H,12H2,(H,23,24)
InChIKeyOZCBQDBZFBSIOQ-UHFFFAOYSA-N
XLogP4.68
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-[(3-chloro-4-methylphenyl)methyl]carbazole-4-carboxamide
CID 174414833
9-[(4-methylsulfonylphenyl)methyl]carbazole-4-carboxamide
CID 174401073
1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxylic acid
CID 142731680
9-benzyl-6-fluorocarbazol-4-ol
CID 18671696
[2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone
CID 138971434
1-[(4-fluorophenyl)methyl]-3-hydroxyquinazoline-2,4-dione
CID 52936428
9-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylic acid
CID 90878202
9-[(3-bromophenyl)methyl]carbazole-4-carboxamide
CID 174401032
1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 5311555
9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide
CID 174400319
7-fluoro-1-[(4-fluorophenyl)methyl]-3-methylindole-2-carboxylic acid
CID 83969461
9-[(4-fluorophenyl)methyl]-6-methylcarbazol-4-ol
CID 18671681

Frequently Asked Questions

What is the IUPAC name of 9-[(4-fluorophenyl)methyl]carbazole-4-carboxylic acid?
The IUPAC name of 9-[(4-fluorophenyl)methyl]carbazole-4-carboxylic acid (CID 174930142) is 9-[(4-fluorophenyl)methyl]carbazole-4-carboxylic acid.
What is the SMILES notation for 9-[(4-fluorophenyl)methyl]carbazole-4-carboxylic acid?
The canonical SMILES for 9-[(4-fluorophenyl)methyl]carbazole-4-carboxylic acid is O=C(O)c1cccc2c1c1ccccc1n2Cc1ccc(F)cc1.
What is the InChIKey of 9-[(4-fluorophenyl)methyl]carbazole-4-carboxylic acid?
The InChIKey is OZCBQDBZFBSIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO2/c21-14-10-8-13(9-11-14)12-22-17-6-2-1-4-15(17)19-16(20(23)24)5-3-7-18(19)22/h1-11H,12H2,(H,23,24).
What are the key properties of 9-[(4-fluorophenyl)methyl]carbazole-4-carboxylic acid?
9-[(4-fluorophenyl)methyl]carbazole-4-carboxylic acid has a molecular weight of 319.34 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-fluorophenyl)methyl]carbazole-4-carboxylic acid is sourced from PubChem (CID 174930142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).