3-[(2,5-difluoro-4-methylbenzoyl)amino]-4-fluorobenzoic acid

C15H10F3NO3 — CID 75472219

IUPAC3-[(2,5-difluoro-4-methylbenzoyl)amino]-4-fluorobenzoic acid
SMILESCc1cc(F)c(C(=O)Nc2cc(C(=O)O)ccc2F)cc1F
InChIInChI=1S/C15H10F3NO3/c1-7-4-12(18)9(6-11(7)17)14(20)19-13-5-8(15(21)22)2-3-10(13)16/h2-6H,1H3,(H,19,20)(H,21,22)
InChIKeyPPWMTHCOFFCWGH-UHFFFAOYSA-N
MW309.24 g/mol
LogP3.36
Rot. Bonds3

About 3-[(2,5-difluoro-4-methylbenzoyl)amino]-4-fluorobenzoic acid

3-[(2,5-difluoro-4-methylbenzoyl)amino]-4-fluorobenzoic acid (PubChem CID 75472219) has the molecular formula C15H10F3NO3 and a molecular weight of 309.24 g/mol. Its IUPAC name is 3-[(2,5-difluoro-4-methylbenzoyl)amino]-4-fluorobenzoic acid.

Molecular Properties

Compound Name3-[(2,5-difluoro-4-methylbenzoyl)amino]-4-fluorobenzoic acid
PubChem CID75472219
Molecular FormulaC15H10F3NO3
Molecular Weight309.24 g/mol
Exact Mass309.06
IUPAC Name3-[(2,5-difluoro-4-methylbenzoyl)amino]-4-fluorobenzoic acid
SMILESCc1cc(F)c(C(=O)Nc2cc(C(=O)O)ccc2F)cc1F
InChIInChI=1S/C15H10F3NO3/c1-7-4-12(18)9(6-11(7)17)14(20)19-13-5-8(15(21)22)2-3-10(13)16/h2-6H,1H3,(H,19,20)(H,21,22)
InChIKeyPPWMTHCOFFCWGH-UHFFFAOYSA-N
XLogP3.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
CID 63209943
3-[(2,5-difluorobenzoyl)amino]-4-fluorobenzoic acid
CID 60748401
3-[(2-fluoro-5-methylbenzoyl)amino]-4-methylbenzoic acid
CID 62514248
3-[(3-bromo-4-methylbenzoyl)amino]-4-fluorobenzoic acid
CID 81457052
3-[(2-fluoro-4-hydroxybenzoyl)amino]-4-methylbenzoic acid
CID 107674656
3-[(2-chloro-3-fluorobenzoyl)amino]-4-fluorobenzoic acid
CID 81453310
4-fluoro-3-(methanesulfonamido)benzoic acid
CID 47002814
4-[(2-fluoro-4-hydroxybenzoyl)amino]-3-methylbenzoic acid
CID 107674680
4-fluoro-3-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81445363
4-fluoro-3-(1,2,2-tricyanoethenylamino)benzoic acid
CID 168606194
4-[(2-chloro-5-fluoro-4-methylbenzoyl)amino]benzoic acid
CID 117044904
4-[(2,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
CID 63189869

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluoro-4-methylbenzoyl)amino]-4-fluorobenzoic acid?
The IUPAC name of 3-[(2,5-difluoro-4-methylbenzoyl)amino]-4-fluorobenzoic acid (CID 75472219) is 3-[(2,5-difluoro-4-methylbenzoyl)amino]-4-fluorobenzoic acid.
What is the SMILES notation for 3-[(2,5-difluoro-4-methylbenzoyl)amino]-4-fluorobenzoic acid?
The canonical SMILES for 3-[(2,5-difluoro-4-methylbenzoyl)amino]-4-fluorobenzoic acid is Cc1cc(F)c(C(=O)Nc2cc(C(=O)O)ccc2F)cc1F.
What is the InChIKey of 3-[(2,5-difluoro-4-methylbenzoyl)amino]-4-fluorobenzoic acid?
The InChIKey is PPWMTHCOFFCWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO3/c1-7-4-12(18)9(6-11(7)17)14(20)19-13-5-8(15(21)22)2-3-10(13)16/h2-6H,1H3,(H,19,20)(H,21,22).
What are the key properties of 3-[(2,5-difluoro-4-methylbenzoyl)amino]-4-fluorobenzoic acid?
3-[(2,5-difluoro-4-methylbenzoyl)amino]-4-fluorobenzoic acid has a molecular weight of 309.24 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-difluoro-4-methylbenzoyl)amino]-4-fluorobenzoic acid is sourced from PubChem (CID 75472219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).