(3-methylphenyl) 2-[(4-fluorobenzoyl)amino]acetate

C16H14FNO3 — CID 110670410

IUPAC(3-methylphenyl) 2-[(4-fluorobenzoyl)amino]acetate
SMILESCc1cccc(OC(=O)CNC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H14FNO3/c1-11-3-2-4-14(9-11)21-15(19)10-18-16(20)12-5-7-13(17)8-6-12/h2-9H,10H2,1H3,(H,18,20)
InChIKeyJPAUPUYDETXMCZ-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.47
Rot. Bonds4

About (3-methylphenyl) 2-[(4-fluorobenzoyl)amino]acetate

(3-methylphenyl) 2-[(4-fluorobenzoyl)amino]acetate (PubChem CID 110670410) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is (3-methylphenyl) 2-[(4-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name(3-methylphenyl) 2-[(4-fluorobenzoyl)amino]acetate
PubChem CID110670410
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name(3-methylphenyl) 2-[(4-fluorobenzoyl)amino]acetate
SMILESCc1cccc(OC(=O)CNC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H14FNO3/c1-11-3-2-4-14(9-11)21-15(19)10-18-16(20)12-5-7-13(17)8-6-12/h2-9H,10H2,1H3,(H,18,20)
InChIKeyJPAUPUYDETXMCZ-UHFFFAOYSA-N
XLogP2.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(3-methylphenyl) 2-[3-(4-fluorophenyl)propanoylamino]acetate
CID 110670442
(3-methylphenyl) 2-[(2,3,4-trifluorobenzoyl)amino]acetate
CID 110670433
(3-methylphenyl) 2-(2,2-dimethylpropanoylamino)acetate
CID 110670400
2-(3-methylphenoxy)ethyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880382
2-(3-methylphenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate
CID 8662514
(3-ethylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate
CID 110670877
N-[2-(4-fluorophenyl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide
CID 110661712
4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 2114068
4-fluoro-N'-[4-(3-methylphenoxy)butanoyl]benzohydrazide
CID 4795371
(3-methylphenyl) 2-[[2-(4-methylphenoxy)acetyl]amino]acetate
CID 110670431
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363910
N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 27859219

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl) 2-[(4-fluorobenzoyl)amino]acetate?
The IUPAC name of (3-methylphenyl) 2-[(4-fluorobenzoyl)amino]acetate (CID 110670410) is (3-methylphenyl) 2-[(4-fluorobenzoyl)amino]acetate.
What is the SMILES notation for (3-methylphenyl) 2-[(4-fluorobenzoyl)amino]acetate?
The canonical SMILES for (3-methylphenyl) 2-[(4-fluorobenzoyl)amino]acetate is Cc1cccc(OC(=O)CNC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of (3-methylphenyl) 2-[(4-fluorobenzoyl)amino]acetate?
The InChIKey is JPAUPUYDETXMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-11-3-2-4-14(9-11)21-15(19)10-18-16(20)12-5-7-13(17)8-6-12/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of (3-methylphenyl) 2-[(4-fluorobenzoyl)amino]acetate?
(3-methylphenyl) 2-[(4-fluorobenzoyl)amino]acetate has a molecular weight of 287.29 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl) 2-[(4-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 110670410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).