3-[(2-fluorophenyl)carbamoylamino]-2-methylbenzoic acid

C15H13FN2O3 — CID 62947575

IUPAC3-[(2-fluorophenyl)carbamoylamino]-2-methylbenzoic acid
SMILESCc1c(NC(=O)Nc2ccccc2F)cccc1C(=O)O
InChIInChI=1S/C15H13FN2O3/c1-9-10(14(19)20)5-4-8-12(9)17-15(21)18-13-7-3-2-6-11(13)16/h2-8H,1H3,(H,19,20)(H2,17,18,21)
InChIKeyFATORMFNISOVLA-UHFFFAOYSA-N
MW288.28 g/mol
LogP3.48
Rot. Bonds3

About 3-[(2-fluorophenyl)carbamoylamino]-2-methylbenzoic acid

3-[(2-fluorophenyl)carbamoylamino]-2-methylbenzoic acid (PubChem CID 62947575) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)carbamoylamino]-2-methylbenzoic acid.

Molecular Properties

Compound Name3-[(2-fluorophenyl)carbamoylamino]-2-methylbenzoic acid
PubChem CID62947575
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name3-[(2-fluorophenyl)carbamoylamino]-2-methylbenzoic acid
SMILESCc1c(NC(=O)Nc2ccccc2F)cccc1C(=O)O
InChIInChI=1S/C15H13FN2O3/c1-9-10(14(19)20)5-4-8-12(9)17-15(21)18-13-7-3-2-6-11(13)16/h2-8H,1H3,(H,19,20)(H2,17,18,21)
InChIKeyFATORMFNISOVLA-UHFFFAOYSA-N
XLogP3.48
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromo-2-methylphenyl)carbamoylamino]benzoic acid
CID 107627490
3-(2,2-difluoroethylcarbamoylamino)-2-methylbenzoic acid
CID 115408111
3-(3-aminopropylcarbamoylamino)-2-methylbenzoic acid
CID 62947767
3-(methoxycarbonylamino)-2-methylbenzoic acid
CID 62947415
3-(2-carboxypropanoylamino)-2-methylbenzoic acid
CID 114898046
2-methyl-3-(1,3,4-thiadiazol-2-ylcarbamoylamino)benzoic acid
CID 62948243
3-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 115298503
3-[(2-carboxyacetyl)amino]-2-methylbenzoic acid
CID 62231492
3-(2-ethylbutanoylamino)-2-methylbenzoic acid
CID 6458658
2-methyl-3-[[methyl(phenyl)carbamoyl]amino]benzoic acid
CID 62948083
2-[(5-chloro-2-fluorophenyl)carbamoylamino]benzoic acid
CID 61198828
3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methylbenzoic acid
CID 62948769

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)carbamoylamino]-2-methylbenzoic acid?
The IUPAC name of 3-[(2-fluorophenyl)carbamoylamino]-2-methylbenzoic acid (CID 62947575) is 3-[(2-fluorophenyl)carbamoylamino]-2-methylbenzoic acid.
What is the SMILES notation for 3-[(2-fluorophenyl)carbamoylamino]-2-methylbenzoic acid?
The canonical SMILES for 3-[(2-fluorophenyl)carbamoylamino]-2-methylbenzoic acid is Cc1c(NC(=O)Nc2ccccc2F)cccc1C(=O)O.
What is the InChIKey of 3-[(2-fluorophenyl)carbamoylamino]-2-methylbenzoic acid?
The InChIKey is FATORMFNISOVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-9-10(14(19)20)5-4-8-12(9)17-15(21)18-13-7-3-2-6-11(13)16/h2-8H,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 3-[(2-fluorophenyl)carbamoylamino]-2-methylbenzoic acid?
3-[(2-fluorophenyl)carbamoylamino]-2-methylbenzoic acid has a molecular weight of 288.28 g/mol, XLogP of 3.48, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)carbamoylamino]-2-methylbenzoic acid is sourced from PubChem (CID 62947575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).