2-(N-(5-fluoro-2-methylbenzoyl)anilino)acetic acid

C16H14FNO3 — CID 63049276

IUPAC2-(N-(5-fluoro-2-methylbenzoyl)anilino)acetic acid
SMILESCc1ccc(F)cc1C(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C16H14FNO3/c1-11-7-8-12(17)9-14(11)16(21)18(10-15(19)20)13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,19,20)
InChIKeyJIFFMKSOTGLIJT-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.87
Rot. Bonds4

About 2-(N-(5-fluoro-2-methylbenzoyl)anilino)acetic acid

2-(N-(5-fluoro-2-methylbenzoyl)anilino)acetic acid (PubChem CID 63049276) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-(N-(5-fluoro-2-methylbenzoyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(N-(5-fluoro-2-methylbenzoyl)anilino)acetic acid
PubChem CID63049276
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name2-(N-(5-fluoro-2-methylbenzoyl)anilino)acetic acid
SMILESCc1ccc(F)cc1C(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C16H14FNO3/c1-11-7-8-12(17)9-14(11)16(21)18(10-15(19)20)13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,19,20)
InChIKeyJIFFMKSOTGLIJT-UHFFFAOYSA-N
XLogP2.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-(2-amino-5-fluorobenzoyl)anilino)acetic acid
CID 61162239
2-(N-(3,5-difluorobenzoyl)anilino)acetic acid
CID 60832677
N-(4-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide
CID 63233675
N-(3-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide
CID 63229820
N-(2-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide
CID 63230448
2-(N-(3-chloro-2-methylbenzoyl)anilino)acetic acid
CID 107095859
2-(N-(4,5-dimethylthiophene-2-carbonyl)anilino)acetic acid
CID 60831160
2-(N-(3-methylfuran-2-carbonyl)anilino)acetic acid
CID 60830300
2-(N-(2-hydroxybenzoyl)-4-methylanilino)acetic acid
CID 60831615
2-(N-(3-methylbenzoyl)anilino)acetic acid
CID 28765017
N-butyl-4-fluoro-2-hydroxy-N-phenylbenzamide
CID 103889306
N-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide
CID 63047882

Frequently Asked Questions

What is the IUPAC name of 2-(N-(5-fluoro-2-methylbenzoyl)anilino)acetic acid?
The IUPAC name of 2-(N-(5-fluoro-2-methylbenzoyl)anilino)acetic acid (CID 63049276) is 2-(N-(5-fluoro-2-methylbenzoyl)anilino)acetic acid.
What is the SMILES notation for 2-(N-(5-fluoro-2-methylbenzoyl)anilino)acetic acid?
The canonical SMILES for 2-(N-(5-fluoro-2-methylbenzoyl)anilino)acetic acid is Cc1ccc(F)cc1C(=O)N(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-(N-(5-fluoro-2-methylbenzoyl)anilino)acetic acid?
The InChIKey is JIFFMKSOTGLIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-11-7-8-12(17)9-14(11)16(21)18(10-15(19)20)13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of 2-(N-(5-fluoro-2-methylbenzoyl)anilino)acetic acid?
2-(N-(5-fluoro-2-methylbenzoyl)anilino)acetic acid has a molecular weight of 287.29 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(5-fluoro-2-methylbenzoyl)anilino)acetic acid is sourced from PubChem (CID 63049276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).