4-fluoro-2-[(5-fluoro-2-methylbenzoyl)amino]benzoic acid

C15H11F2NO3 — CID 62033554

IUPAC4-fluoro-2-[(5-fluoro-2-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(F)cc1C(=O)Nc1cc(F)ccc1C(=O)O
InChIInChI=1S/C15H11F2NO3/c1-8-2-3-9(16)6-12(8)14(19)18-13-7-10(17)4-5-11(13)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyAIKAGGMZXWIVLT-UHFFFAOYSA-N
MW291.25 g/mol
LogP3.22
Rot. Bonds3

About 4-fluoro-2-[(5-fluoro-2-methylbenzoyl)amino]benzoic acid

4-fluoro-2-[(5-fluoro-2-methylbenzoyl)amino]benzoic acid (PubChem CID 62033554) has the molecular formula C15H11F2NO3 and a molecular weight of 291.25 g/mol. Its IUPAC name is 4-fluoro-2-[(5-fluoro-2-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-[(5-fluoro-2-methylbenzoyl)amino]benzoic acid
PubChem CID62033554
Molecular FormulaC15H11F2NO3
Molecular Weight291.25 g/mol
Exact Mass291.07
IUPAC Name4-fluoro-2-[(5-fluoro-2-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(F)cc1C(=O)Nc1cc(F)ccc1C(=O)O
InChIInChI=1S/C15H11F2NO3/c1-8-2-3-9(16)6-12(8)14(19)18-13-7-10(17)4-5-11(13)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyAIKAGGMZXWIVLT-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

5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 63652796
2-[(3-amino-4-methylbenzoyl)amino]-4-fluorobenzoic acid
CID 61158484
4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 16789233
5-bromo-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
CID 65307346
5-fluoro-N-(2-iodophenyl)-2-methylbenzamide
CID 33037108
N-(4-bromo-2-methylphenyl)-5-fluoro-2-methylbenzamide
CID 60705568
2-[(5-fluoro-2-methylbenzoyl)amino]benzenesulfonyl fluoride
CID 116814212
2,4-dichloro-N-(5-fluoro-2-methylphenyl)benzamide
CID 804177
2-[(4-bromobenzoyl)amino]-4-fluorobenzoic acid
CID 24709582
N-(2-amino-5-fluorophenyl)-5-chloro-2-methylbenzamide
CID 82881025
2-[(2-bromo-3-fluorobenzoyl)amino]-4-fluorobenzoic acid
CID 81498319
4-fluoro-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 16785950

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(5-fluoro-2-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 4-fluoro-2-[(5-fluoro-2-methylbenzoyl)amino]benzoic acid (CID 62033554) is 4-fluoro-2-[(5-fluoro-2-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-fluoro-2-[(5-fluoro-2-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 4-fluoro-2-[(5-fluoro-2-methylbenzoyl)amino]benzoic acid is Cc1ccc(F)cc1C(=O)Nc1cc(F)ccc1C(=O)O.
What is the InChIKey of 4-fluoro-2-[(5-fluoro-2-methylbenzoyl)amino]benzoic acid?
The InChIKey is AIKAGGMZXWIVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO3/c1-8-2-3-9(16)6-12(8)14(19)18-13-7-10(17)4-5-11(13)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-fluoro-2-[(5-fluoro-2-methylbenzoyl)amino]benzoic acid?
4-fluoro-2-[(5-fluoro-2-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-2-[(5-fluoro-2-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 62033554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).