3-[(3-fluorophenyl)carbamoylamino]-4-methylbenzoic acid

C15H13FN2O3 — CID 6467536

IUPAC3-[(3-fluorophenyl)carbamoylamino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H13FN2O3/c1-9-5-6-10(14(19)20)7-13(9)18-15(21)17-12-4-2-3-11(16)8-12/h2-8H,1H3,(H,19,20)(H2,17,18,21)
InChIKeyQCKMKIHOBLKHLQ-UHFFFAOYSA-N
MW288.28 g/mol
LogP3.48
Rot. Bonds3

About 3-[(3-fluorophenyl)carbamoylamino]-4-methylbenzoic acid

3-[(3-fluorophenyl)carbamoylamino]-4-methylbenzoic acid (PubChem CID 6467536) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)carbamoylamino]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[(3-fluorophenyl)carbamoylamino]-4-methylbenzoic acid
PubChem CID6467536
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name3-[(3-fluorophenyl)carbamoylamino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H13FN2O3/c1-9-5-6-10(14(19)20)7-13(9)18-15(21)17-12-4-2-3-11(16)8-12/h2-8H,1H3,(H,19,20)(H2,17,18,21)
InChIKeyQCKMKIHOBLKHLQ-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

3-[(2,5-dimethylphenyl)carbamoylamino]benzoic acid
CID 61193250
3-[(2,4-difluorophenyl)carbamoylamino]-4-methylbenzoic acid
CID 1297024
N-(3-fluorophenyl)-4-methyl-3-(methylamino)benzamide
CID 146654159
1-(5-amino-2,4-dimethylphenyl)-3-(3-fluorophenyl)urea
CID 104757285
4-methyl-3-(phenylcarbamoylamino)benzamide
CID 110472244
3-[(2,4-difluorophenyl)carbamoylamino]benzoic acid
CID 6464794
1-(4-bromo-2-methylphenyl)-3-(3-fluorophenyl)urea
CID 54911411
5-[(5-fluoro-2-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63158221
4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049648
N'-(5-chloro-2-methylphenyl)-N-(3-fluorophenyl)oxamide
CID 108511843
methyl 3-[(3-chlorophenyl)carbamoylamino]-4-methylbenzoate
CID 2228342
methyl 3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 9104465

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)carbamoylamino]-4-methylbenzoic acid?
The IUPAC name of 3-[(3-fluorophenyl)carbamoylamino]-4-methylbenzoic acid (CID 6467536) is 3-[(3-fluorophenyl)carbamoylamino]-4-methylbenzoic acid.
What is the SMILES notation for 3-[(3-fluorophenyl)carbamoylamino]-4-methylbenzoic acid?
The canonical SMILES for 3-[(3-fluorophenyl)carbamoylamino]-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1NC(=O)Nc1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)carbamoylamino]-4-methylbenzoic acid?
The InChIKey is QCKMKIHOBLKHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-9-5-6-10(14(19)20)7-13(9)18-15(21)17-12-4-2-3-11(16)8-12/h2-8H,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 3-[(3-fluorophenyl)carbamoylamino]-4-methylbenzoic acid?
3-[(3-fluorophenyl)carbamoylamino]-4-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-[(3-fluorophenyl)carbamoylamino]-4-methylbenzoic acid is sourced from PubChem (CID 6467536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).