5-[(4-fluorophenyl)carbamoylamino]-2-methylbenzoic acid

C15H13FN2O3 — CID 63653506

IUPAC5-[(4-fluorophenyl)carbamoylamino]-2-methylbenzoic acid
SMILESCc1ccc(NC(=O)Nc2ccc(F)cc2)cc1C(=O)O
InChIInChI=1S/C15H13FN2O3/c1-9-2-5-12(8-13(9)14(19)20)18-15(21)17-11-6-3-10(16)4-7-11/h2-8H,1H3,(H,19,20)(H2,17,18,21)
InChIKeyFRLWAYIUTWDMNY-UHFFFAOYSA-N
MW288.28 g/mol
LogP3.48
Rot. Bonds3

About 5-[(4-fluorophenyl)carbamoylamino]-2-methylbenzoic acid

5-[(4-fluorophenyl)carbamoylamino]-2-methylbenzoic acid (PubChem CID 63653506) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)carbamoylamino]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[(4-fluorophenyl)carbamoylamino]-2-methylbenzoic acid
PubChem CID63653506
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name5-[(4-fluorophenyl)carbamoylamino]-2-methylbenzoic acid
SMILESCc1ccc(NC(=O)Nc2ccc(F)cc2)cc1C(=O)O
InChIInChI=1S/C15H13FN2O3/c1-9-2-5-12(8-13(9)14(19)20)18-15(21)17-11-6-3-10(16)4-7-11/h2-8H,1H3,(H,19,20)(H2,17,18,21)
InChIKeyFRLWAYIUTWDMNY-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

1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039
5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 63652796
2-bromo-5-[(4-fluorophenyl)carbamoylamino]benzoic acid
CID 115295936
5-[(2,2-difluoroacetyl)amino]-2-methylbenzoic acid
CID 103513291
2-methyl-5-(pyrimidin-5-ylcarbamoylamino)benzoic acid
CID 107589243
2-methyl-5-(2-methylpropylcarbamoylamino)benzoic acid
CID 63652124
5-[(4-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid
CID 60827610
5-(2,2-dimethylpropanoylamino)-2-methylbenzoic acid
CID 63652956
5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663
1-(4-bromo-2-methylphenyl)-3-(4-fluorophenyl)urea
CID 17262139
5-[(5-bromo-2-fluorobenzoyl)amino]-2-methylbenzoic acid
CID 63653499
2-[(4-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoic acid
CID 16774686

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)carbamoylamino]-2-methylbenzoic acid?
The IUPAC name of 5-[(4-fluorophenyl)carbamoylamino]-2-methylbenzoic acid (CID 63653506) is 5-[(4-fluorophenyl)carbamoylamino]-2-methylbenzoic acid.
What is the SMILES notation for 5-[(4-fluorophenyl)carbamoylamino]-2-methylbenzoic acid?
The canonical SMILES for 5-[(4-fluorophenyl)carbamoylamino]-2-methylbenzoic acid is Cc1ccc(NC(=O)Nc2ccc(F)cc2)cc1C(=O)O.
What is the InChIKey of 5-[(4-fluorophenyl)carbamoylamino]-2-methylbenzoic acid?
The InChIKey is FRLWAYIUTWDMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-9-2-5-12(8-13(9)14(19)20)18-15(21)17-11-6-3-10(16)4-7-11/h2-8H,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 5-[(4-fluorophenyl)carbamoylamino]-2-methylbenzoic acid?
5-[(4-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 5-[(4-fluorophenyl)carbamoylamino]-2-methylbenzoic acid is sourced from PubChem (CID 63653506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).