2-(N-(3,5-difluorobenzoyl)anilino)acetic acid

C15H11F2NO3 — CID 60832677

IUPAC2-(N-(3,5-difluorobenzoyl)anilino)acetic acid
SMILESO=C(O)CN(C(=O)c1cc(F)cc(F)c1)c1ccccc1
InChIInChI=1S/C15H11F2NO3/c16-11-6-10(7-12(17)8-11)15(21)18(9-14(19)20)13-4-2-1-3-5-13/h1-8H,9H2,(H,19,20)
InChIKeyYUYHCLADQLWTRH-UHFFFAOYSA-N
MW291.25 g/mol
LogP2.70
Rot. Bonds4

About 2-(N-(3,5-difluorobenzoyl)anilino)acetic acid

2-(N-(3,5-difluorobenzoyl)anilino)acetic acid (PubChem CID 60832677) has the molecular formula C15H11F2NO3 and a molecular weight of 291.25 g/mol. Its IUPAC name is 2-(N-(3,5-difluorobenzoyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(N-(3,5-difluorobenzoyl)anilino)acetic acid
PubChem CID60832677
Molecular FormulaC15H11F2NO3
Molecular Weight291.25 g/mol
Exact Mass291.07
IUPAC Name2-(N-(3,5-difluorobenzoyl)anilino)acetic acid
SMILESO=C(O)CN(C(=O)c1cc(F)cc(F)c1)c1ccccc1
InChIInChI=1S/C15H11F2NO3/c16-11-6-10(7-12(17)8-11)15(21)18(9-14(19)20)13-4-2-1-3-5-13/h1-8H,9H2,(H,19,20)
InChIKeyYUYHCLADQLWTRH-UHFFFAOYSA-N
XLogP2.70
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-(3-bromo-4-fluorobenzoyl)anilino)acetic acid
CID 103841255
2-(N-(3-methylbenzoyl)anilino)acetic acid
CID 28765017
2-(N-(4-methylsulfanylbenzoyl)anilino)acetic acid
CID 60831323
2-(N-(2-amino-5-fluorobenzoyl)anilino)acetic acid
CID 61162239
2-(N-(5-fluoro-2-methylbenzoyl)anilino)acetic acid
CID 63049276
N-benzyl-3,5-difluoro-N-(4-methylphenyl)benzamide
CID 22830347
2-(N-(3-methoxybenzoyl)anilino)acetic acid
CID 28765030
2-(4-hydroxy-N-(3-hydroxybenzoyl)anilino)acetic acid
CID 60830444
N-(2-aminoethyl)-3-fluoro-N-phenylbenzamide
CID 28768548
2-(N-(6-bromopyridine-3-carbonyl)anilino)acetic acid
CID 66463836
2-(N-[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]anilino)acetic acid
CID 22894878
2-(N-[3-(N'-acetylcarbamimidoyl)benzoyl]anilino)acetic acid
CID 67097918

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,5-difluorobenzoyl)anilino)acetic acid?
The IUPAC name of 2-(N-(3,5-difluorobenzoyl)anilino)acetic acid (CID 60832677) is 2-(N-(3,5-difluorobenzoyl)anilino)acetic acid.
What is the SMILES notation for 2-(N-(3,5-difluorobenzoyl)anilino)acetic acid?
The canonical SMILES for 2-(N-(3,5-difluorobenzoyl)anilino)acetic acid is O=C(O)CN(C(=O)c1cc(F)cc(F)c1)c1ccccc1.
What is the InChIKey of 2-(N-(3,5-difluorobenzoyl)anilino)acetic acid?
The InChIKey is YUYHCLADQLWTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO3/c16-11-6-10(7-12(17)8-11)15(21)18(9-14(19)20)13-4-2-1-3-5-13/h1-8H,9H2,(H,19,20).
What are the key properties of 2-(N-(3,5-difluorobenzoyl)anilino)acetic acid?
2-(N-(3,5-difluorobenzoyl)anilino)acetic acid has a molecular weight of 291.25 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3,5-difluorobenzoyl)anilino)acetic acid is sourced from PubChem (CID 60832677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).