5-cyano-2-(9H-fluorene-1-carbonylamino)benzoic acid

C22H14N2O3 — CID 142866014

IUPAC5-cyano-2-(9H-fluorene-1-carbonylamino)benzoic acid
SMILESN#Cc1ccc(NC(=O)c2cccc3c2Cc2ccccc2-3)c(C(=O)O)c1
InChIInChI=1S/C22H14N2O3/c23-12-13-8-9-20(19(10-13)22(26)27)24-21(25)17-7-3-6-16-15-5-2-1-4-14(15)11-18(16)17/h1-10H,11H2,(H,24,25)(H,26,27)
InChIKeyFHINBVDBMZQRJB-UHFFFAOYSA-N
MW354.37 g/mol
LogP4.08
Rot. Bonds3

About 5-cyano-2-(9H-fluorene-1-carbonylamino)benzoic acid

5-cyano-2-(9H-fluorene-1-carbonylamino)benzoic acid (PubChem CID 142866014) has the molecular formula C22H14N2O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is 5-cyano-2-(9H-fluorene-1-carbonylamino)benzoic acid.

Molecular Properties

Compound Name5-cyano-2-(9H-fluorene-1-carbonylamino)benzoic acid
PubChem CID142866014
Molecular FormulaC22H14N2O3
Molecular Weight354.37 g/mol
Exact Mass354.10
IUPAC Name5-cyano-2-(9H-fluorene-1-carbonylamino)benzoic acid
SMILESN#Cc1ccc(NC(=O)c2cccc3c2Cc2ccccc2-3)c(C(=O)O)c1
InChIInChI=1S/C22H14N2O3/c23-12-13-8-9-20(19(10-13)22(26)27)24-21(25)17-7-3-6-16-15-5-2-1-4-14(15)11-18(16)17/h1-10H,11H2,(H,24,25)(H,26,27)
InChIKeyFHINBVDBMZQRJB-UHFFFAOYSA-N
XLogP4.08
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-(9H-fluoren-3-yl)benzamide
CID 8699343
9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid
CID 158991215
N-[4-[[amino(phenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide
CID 10179306
5-bromo-2-[(4-cyanobenzoyl)amino]benzoic acid
CID 45434103
4-(9H-fluoren-1-yl)benzonitrile
CID 154389455
9H-fluorene-1-carboxamide
CID 18474131
3-[(3-cyanobenzoyl)amino]-2-methylbenzoic acid
CID 60748959
N-(5-cyano-2-methylphenyl)-2,3-dimethylbenzamide
CID 47475875
N-(2,2,2-trifluoroethyl)-9H-fluorene-1-carboxamide
CID 140983294
5-cyano-2-(cyclopentylamino)benzoic acid
CID 22467532
N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
CID 103799806
5-cyano-2-[[9-(ethoxyamino)-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene-2-carbonyl]amino]benzoic acid
CID 91066639

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-(9H-fluorene-1-carbonylamino)benzoic acid?
The IUPAC name of 5-cyano-2-(9H-fluorene-1-carbonylamino)benzoic acid (CID 142866014) is 5-cyano-2-(9H-fluorene-1-carbonylamino)benzoic acid.
What is the SMILES notation for 5-cyano-2-(9H-fluorene-1-carbonylamino)benzoic acid?
The canonical SMILES for 5-cyano-2-(9H-fluorene-1-carbonylamino)benzoic acid is N#Cc1ccc(NC(=O)c2cccc3c2Cc2ccccc2-3)c(C(=O)O)c1.
What is the InChIKey of 5-cyano-2-(9H-fluorene-1-carbonylamino)benzoic acid?
The InChIKey is FHINBVDBMZQRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O3/c23-12-13-8-9-20(19(10-13)22(26)27)24-21(25)17-7-3-6-16-15-5-2-1-4-14(15)11-18(16)17/h1-10H,11H2,(H,24,25)(H,26,27).
What are the key properties of 5-cyano-2-(9H-fluorene-1-carbonylamino)benzoic acid?
5-cyano-2-(9H-fluorene-1-carbonylamino)benzoic acid has a molecular weight of 354.37 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-(9H-fluorene-1-carbonylamino)benzoic acid is sourced from PubChem (CID 142866014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).