2-benzamido-4-(3-chloro-4-fluorophenyl)benzoic acid

C20H13ClFNO3 — CID 67341971

IUPAC2-benzamido-4-(3-chloro-4-fluorophenyl)benzoic acid
SMILESO=C(Nc1cc(-c2ccc(F)c(Cl)c2)ccc1C(=O)O)c1ccccc1
InChIInChI=1S/C20H13ClFNO3/c21-16-10-13(7-9-17(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)
InChIKeyVAXRZLJDJZAFSR-UHFFFAOYSA-N
MW369.78 g/mol
LogP5.10
Rot. Bonds4

About 2-benzamido-4-(3-chloro-4-fluorophenyl)benzoic acid

2-benzamido-4-(3-chloro-4-fluorophenyl)benzoic acid (PubChem CID 67341971) has the molecular formula C20H13ClFNO3 and a molecular weight of 369.78 g/mol. Its IUPAC name is 2-benzamido-4-(3-chloro-4-fluorophenyl)benzoic acid.

Molecular Properties

Compound Name2-benzamido-4-(3-chloro-4-fluorophenyl)benzoic acid
PubChem CID67341971
Molecular FormulaC20H13ClFNO3
Molecular Weight369.78 g/mol
Exact Mass369.06
IUPAC Name2-benzamido-4-(3-chloro-4-fluorophenyl)benzoic acid
SMILESO=C(Nc1cc(-c2ccc(F)c(Cl)c2)ccc1C(=O)O)c1ccccc1
InChIInChI=1S/C20H13ClFNO3/c21-16-10-13(7-9-17(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)
InChIKeyVAXRZLJDJZAFSR-UHFFFAOYSA-N
XLogP5.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.78
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzamido-4-(3,4-difluorophenyl)benzoic acid
CID 67342195
2-benzamido-4-(4-chloro-3-methoxyphenyl)benzoic acid
CID 174641958
2-[(4-chloro-2-hydroxybenzoyl)amino]-4-phenylbenzoic acid
CID 46853577
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-[(6-chloropyridine-3-carbonyl)amino]-4-phenylbenzoic acid
CID 87408033
2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid
CID 167346908
2-benzamido-4-[(E)-2-(3,5-dichlorophenyl)ethenyl]benzoic acid
CID 69093707
2-[(4-chlorobenzoyl)amino]-4-(2-phenylethenyl)benzoic acid
CID 174534912
3-[(3-chloro-4-fluorobenzoyl)amino]-2-hydroxybenzoic acid
CID 104832980
4-chloro-2-[(3,4-dichlorobenzoyl)amino]benzoic acid
CID 10382905

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-4-(3-chloro-4-fluorophenyl)benzoic acid?
The IUPAC name of 2-benzamido-4-(3-chloro-4-fluorophenyl)benzoic acid (CID 67341971) is 2-benzamido-4-(3-chloro-4-fluorophenyl)benzoic acid.
What is the SMILES notation for 2-benzamido-4-(3-chloro-4-fluorophenyl)benzoic acid?
The canonical SMILES for 2-benzamido-4-(3-chloro-4-fluorophenyl)benzoic acid is O=C(Nc1cc(-c2ccc(F)c(Cl)c2)ccc1C(=O)O)c1ccccc1.
What is the InChIKey of 2-benzamido-4-(3-chloro-4-fluorophenyl)benzoic acid?
The InChIKey is VAXRZLJDJZAFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFNO3/c21-16-10-13(7-9-17(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-chloro-4-fluorophenyl)benzoic acid?
2-benzamido-4-(3-chloro-4-fluorophenyl)benzoic acid has a molecular weight of 369.78 g/mol, XLogP of 5.10, 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-chloro-4-fluorophenyl)benzoic acid is sourced from PubChem (CID 67341971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).