2-[(2,4-difluorobenzoyl)amino]-4-phenylbenzoic acid

C20H13F2NO3 — CID 67343264

IUPAC2-[(2,4-difluorobenzoyl)amino]-4-phenylbenzoic acid
SMILESO=C(Nc1cc(-c2ccccc2)ccc1C(=O)O)c1ccc(F)cc1F
InChIInChI=1S/C20H13F2NO3/c21-14-7-9-15(17(22)11-14)19(24)23-18-10-13(6-8-16(18)20(25)26)12-4-2-1-3-5-12/h1-11H,(H,23,24)(H,25,26)
InChIKeyNYPNXAOMLMFLEL-UHFFFAOYSA-N
MW353.32 g/mol
LogP4.58
Rot. Bonds4

About 2-[(2,4-difluorobenzoyl)amino]-4-phenylbenzoic acid

2-[(2,4-difluorobenzoyl)amino]-4-phenylbenzoic acid (PubChem CID 67343264) has the molecular formula C20H13F2NO3 and a molecular weight of 353.32 g/mol. Its IUPAC name is 2-[(2,4-difluorobenzoyl)amino]-4-phenylbenzoic acid.

Molecular Properties

Compound Name2-[(2,4-difluorobenzoyl)amino]-4-phenylbenzoic acid
PubChem CID67343264
Molecular FormulaC20H13F2NO3
Molecular Weight353.32 g/mol
Exact Mass353.09
IUPAC Name2-[(2,4-difluorobenzoyl)amino]-4-phenylbenzoic acid
SMILESO=C(Nc1cc(-c2ccccc2)ccc1C(=O)O)c1ccc(F)cc1F
InChIInChI=1S/C20H13F2NO3/c21-14-7-9-15(17(22)11-14)19(24)23-18-10-13(6-8-16(18)20(25)26)12-4-2-1-3-5-12/h1-11H,(H,23,24)(H,25,26)
InChIKeyNYPNXAOMLMFLEL-UHFFFAOYSA-N
XLogP4.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid
CID 167346908
4-bromo-2-[(2,4-difluorobenzoyl)amino]benzoic acid
CID 60917051
2-[(4-chloro-2-hydroxybenzoyl)amino]-4-phenylbenzoic acid
CID 46853577
2-benzamido-4-(3,4-difluorophenyl)benzoic acid
CID 67342195
4-phenyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]benzoic acid
CID 67343979
2-[(2-acetyloxy-5-phenylbenzoyl)amino]-4-phenylbenzoic acid
CID 89038090
2-(2-fluoroanilino)-4-phenylbenzoic acid
CID 68958907
2-benzamido-4-(3-chloro-4-fluorophenyl)benzoic acid
CID 67341971
2-[(2-hydroxy-3-methoxybenzoyl)amino]-4-phenylbenzoic acid
CID 46853580
5-fluoro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674704
2-[(2-bromo-3-fluorobenzoyl)amino]-4-fluorobenzoic acid
CID 81498319
2,4-difluoro-N-(2-phenoxyphenyl)benzamide
CID 4797438

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorobenzoyl)amino]-4-phenylbenzoic acid?
The IUPAC name of 2-[(2,4-difluorobenzoyl)amino]-4-phenylbenzoic acid (CID 67343264) is 2-[(2,4-difluorobenzoyl)amino]-4-phenylbenzoic acid.
What is the SMILES notation for 2-[(2,4-difluorobenzoyl)amino]-4-phenylbenzoic acid?
The canonical SMILES for 2-[(2,4-difluorobenzoyl)amino]-4-phenylbenzoic acid is O=C(Nc1cc(-c2ccccc2)ccc1C(=O)O)c1ccc(F)cc1F.
What is the InChIKey of 2-[(2,4-difluorobenzoyl)amino]-4-phenylbenzoic acid?
The InChIKey is NYPNXAOMLMFLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2NO3/c21-14-7-9-15(17(22)11-14)19(24)23-18-10-13(6-8-16(18)20(25)26)12-4-2-1-3-5-12/h1-11H,(H,23,24)(H,25,26).
What are the key properties of 2-[(2,4-difluorobenzoyl)amino]-4-phenylbenzoic acid?
2-[(2,4-difluorobenzoyl)amino]-4-phenylbenzoic acid has a molecular weight of 353.32 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorobenzoyl)amino]-4-phenylbenzoic acid is sourced from PubChem (CID 67343264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).