2-[4-[(2,3-difluorobenzoyl)amino]phenyl]acetic acid

C15H11F2NO3 — CID 62648476

IUPAC2-[4-[(2,3-difluorobenzoyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)c2cccc(F)c2F)cc1
InChIInChI=1S/C15H11F2NO3/c16-12-3-1-2-11(14(12)17)15(21)18-10-6-4-9(5-7-10)8-13(19)20/h1-7H,8H2,(H,18,21)(H,19,20)
InChIKeyODDXQBDUQKLVDQ-UHFFFAOYSA-N
MW291.25 g/mol
LogP2.84
Rot. Bonds4

About 2-[4-[(2,3-difluorobenzoyl)amino]phenyl]acetic acid

2-[4-[(2,3-difluorobenzoyl)amino]phenyl]acetic acid (PubChem CID 62648476) has the molecular formula C15H11F2NO3 and a molecular weight of 291.25 g/mol. Its IUPAC name is 2-[4-[(2,3-difluorobenzoyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2,3-difluorobenzoyl)amino]phenyl]acetic acid
PubChem CID62648476
Molecular FormulaC15H11F2NO3
Molecular Weight291.25 g/mol
Exact Mass291.07
IUPAC Name2-[4-[(2,3-difluorobenzoyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)c2cccc(F)c2F)cc1
InChIInChI=1S/C15H11F2NO3/c16-12-3-1-2-11(14(12)17)15(21)18-10-6-4-9(5-7-10)8-13(19)20/h1-7H,8H2,(H,18,21)(H,19,20)
InChIKeyODDXQBDUQKLVDQ-UHFFFAOYSA-N
XLogP2.84
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-bromoethyl)phenyl]-2,3-difluorobenzamide
CID 114310286
2-[4-[(3-fluorobenzoyl)amino]phenyl]acetic acid
CID 16792926
N-(3,4-difluorophenyl)-2,3-difluorobenzamide
CID 62648495
2-[4-[[2-(4-chlorophenyl)benzoyl]amino]phenyl]acetic acid
CID 57465439
2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide
CID 81477426
2,3-difluoro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 62660527
2,3-difluoro-N-(4-sulfamoylphenyl)benzamide
CID 62649490
3-chloro-N-[4-(chloromethyl)phenyl]-2-fluorobenzamide
CID 114299948
2-chloro-3-fluoro-N-[4-(hydroxymethyl)phenyl]benzamide
CID 81461664
2,3-difluoro-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 76948104
N-(3,5-dichlorophenyl)-2,3-difluorobenzamide
CID 62650988
2-[4-(phenylcarbamoylamino)phenyl]acetic acid
CID 564698

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,3-difluorobenzoyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2,3-difluorobenzoyl)amino]phenyl]acetic acid (CID 62648476) is 2-[4-[(2,3-difluorobenzoyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2,3-difluorobenzoyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2,3-difluorobenzoyl)amino]phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)c2cccc(F)c2F)cc1.
What is the InChIKey of 2-[4-[(2,3-difluorobenzoyl)amino]phenyl]acetic acid?
The InChIKey is ODDXQBDUQKLVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO3/c16-12-3-1-2-11(14(12)17)15(21)18-10-6-4-9(5-7-10)8-13(19)20/h1-7H,8H2,(H,18,21)(H,19,20).
What are the key properties of 2-[4-[(2,3-difluorobenzoyl)amino]phenyl]acetic acid?
2-[4-[(2,3-difluorobenzoyl)amino]phenyl]acetic acid has a molecular weight of 291.25 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,3-difluorobenzoyl)amino]phenyl]acetic acid is sourced from PubChem (CID 62648476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).