4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid

C15H11F2NO3 — CID 63209943

IUPAC4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
SMILESCc1cc(C(=O)Nc2cc(C(=O)O)ccc2F)ccc1F
InChIInChI=1S/C15H11F2NO3/c1-8-6-9(2-4-11(8)16)14(19)18-13-7-10(15(20)21)3-5-12(13)17/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyGTZRIEYOTOOFML-UHFFFAOYSA-N
MW291.25 g/mol
LogP3.22
Rot. Bonds3

About 4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid

4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid (PubChem CID 63209943) has the molecular formula C15H11F2NO3 and a molecular weight of 291.25 g/mol. Its IUPAC name is 4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
PubChem CID63209943
Molecular FormulaC15H11F2NO3
Molecular Weight291.25 g/mol
Exact Mass291.07
IUPAC Name4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
SMILESCc1cc(C(=O)Nc2cc(C(=O)O)ccc2F)ccc1F
InChIInChI=1S/C15H11F2NO3/c1-8-6-9(2-4-11(8)16)14(19)18-13-7-10(15(20)21)3-5-12(13)17/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyGTZRIEYOTOOFML-UHFFFAOYSA-N
XLogP3.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-bromo-4-methylbenzoyl)amino]-4-fluorobenzoic acid
CID 81457052
[4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]phenyl]carbamic acid
CID 137353520
3-[(2,5-difluoro-4-methylbenzoyl)amino]-4-fluorobenzoic acid
CID 75472219
2-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
CID 63209935
4-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 103822569
3-[(2-fluoro-5-methylphenyl)carbamoyl]benzoic acid
CID 43452946
4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide
CID 63213134
4-fluoro-N-(2-fluoro-4-methylphenyl)-3-methylbenzamide
CID 55163065
3-[(3-bromobenzoyl)amino]-4-fluorobenzoic acid
CID 60748935
N-(2-amino-4,5-dimethylphenyl)-4-fluoro-3-methylbenzamide
CID 63209761
4-[(4-amino-3-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 63188517
3-[(4-fluoro-3-methylphenyl)carbamoyl]benzoic acid
CID 62812413

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid (CID 63209943) is 4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid is Cc1cc(C(=O)Nc2cc(C(=O)O)ccc2F)ccc1F.
What is the InChIKey of 4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid?
The InChIKey is GTZRIEYOTOOFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO3/c1-8-6-9(2-4-11(8)16)14(19)18-13-7-10(15(20)21)3-5-12(13)17/h2-7H,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid?
4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid has a molecular weight of 291.25 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 63209943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).