2-benzamido-4-(3,4-difluorophenyl)benzoic acid

C20H13F2NO3 — CID 67342195

IUPAC2-benzamido-4-(3,4-difluorophenyl)benzoic acid
SMILESO=C(Nc1cc(-c2ccc(F)c(F)c2)ccc1C(=O)O)c1ccccc1
InChIInChI=1S/C20H13F2NO3/c21-16-9-7-13(10-17(16)22)14-6-8-15(20(25)26)18(11-14)23-19(24)12-4-2-1-3-5-12/h1-11H,(H,23,24)(H,25,26)
InChIKeyILUCVIJFBUFTDH-UHFFFAOYSA-N
MW353.32 g/mol
LogP4.58
Rot. Bonds4

About 2-benzamido-4-(3,4-difluorophenyl)benzoic acid

2-benzamido-4-(3,4-difluorophenyl)benzoic acid (PubChem CID 67342195) has the molecular formula C20H13F2NO3 and a molecular weight of 353.32 g/mol. Its IUPAC name is 2-benzamido-4-(3,4-difluorophenyl)benzoic acid.

Molecular Properties

Compound Name2-benzamido-4-(3,4-difluorophenyl)benzoic acid
PubChem CID67342195
Molecular FormulaC20H13F2NO3
Molecular Weight353.32 g/mol
Exact Mass353.09
IUPAC Name2-benzamido-4-(3,4-difluorophenyl)benzoic acid
SMILESO=C(Nc1cc(-c2ccc(F)c(F)c2)ccc1C(=O)O)c1ccccc1
InChIInChI=1S/C20H13F2NO3/c21-16-9-7-13(10-17(16)22)14-6-8-15(20(25)26)18(11-14)23-19(24)12-4-2-1-3-5-12/h1-11H,(H,23,24)(H,25,26)
InChIKeyILUCVIJFBUFTDH-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-benzamido-4-(3-chloro-4-fluorophenyl)benzoic acid
CID 67341971
2-benzamido-4-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 67342853
2-[(2,4-difluorobenzoyl)amino]-4-phenylbenzoic acid
CID 67343264
4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 67344510
2-benzamido-4-(4-chloro-3-methoxyphenyl)benzoic acid
CID 174641958
2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid
CID 167346908
2-[[2-carboxy-4-[(methyl-methylidene-oxo-λ6-sulfanyl)carbamoyl]benzoyl]amino]-4-(3,4-difluorophenyl)benzoic acid
CID 156789338
2-[(4-chloro-2-hydroxybenzoyl)amino]-4-phenylbenzoic acid
CID 46853577
4-(3,4-difluorophenyl)-2-hydroxybenzoic acid
CID 53225879
4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 16789233
2-[(4-bromobenzoyl)amino]-4-fluorobenzoic acid
CID 24709582
4-phenyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]benzoic acid
CID 67343979

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-4-(3,4-difluorophenyl)benzoic acid?
The IUPAC name of 2-benzamido-4-(3,4-difluorophenyl)benzoic acid (CID 67342195) is 2-benzamido-4-(3,4-difluorophenyl)benzoic acid.
What is the SMILES notation for 2-benzamido-4-(3,4-difluorophenyl)benzoic acid?
The canonical SMILES for 2-benzamido-4-(3,4-difluorophenyl)benzoic acid is O=C(Nc1cc(-c2ccc(F)c(F)c2)ccc1C(=O)O)c1ccccc1.
What is the InChIKey of 2-benzamido-4-(3,4-difluorophenyl)benzoic acid?
The InChIKey is ILUCVIJFBUFTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2NO3/c21-16-9-7-13(10-17(16)22)14-6-8-15(20(25)26)18(11-14)23-19(24)12-4-2-1-3-5-12/h1-11H,(H,23,24)(H,25,26).
What are the key properties of 2-benzamido-4-(3,4-difluorophenyl)benzoic acid?
2-benzamido-4-(3,4-difluorophenyl)benzoic 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-benzamido-4-(3,4-difluorophenyl)benzoic acid is sourced from PubChem (CID 67342195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).