benzyl 2-[(3-fluoro-4-methylbenzoyl)amino]acetate

C17H16FNO3 — CID 27711366

IUPACbenzyl 2-[(3-fluoro-4-methylbenzoyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OCc2ccccc2)cc1F
InChIInChI=1S/C17H16FNO3/c1-12-7-8-14(9-15(12)18)17(21)19-10-16(20)22-11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyWPZZOURQJVNFIK-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.61
Rot. Bonds5

About benzyl 2-[(3-fluoro-4-methylbenzoyl)amino]acetate

benzyl 2-[(3-fluoro-4-methylbenzoyl)amino]acetate (PubChem CID 27711366) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is benzyl 2-[(3-fluoro-4-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[(3-fluoro-4-methylbenzoyl)amino]acetate
PubChem CID27711366
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Namebenzyl 2-[(3-fluoro-4-methylbenzoyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OCc2ccccc2)cc1F
InChIInChI=1S/C17H16FNO3/c1-12-7-8-14(9-15(12)18)17(21)19-10-16(20)22-11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyWPZZOURQJVNFIK-UHFFFAOYSA-N
XLogP2.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl 2-[(3-fluoro-4-methylbenzoyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 2-benzamidoacetate;ethane
CID 142836612
benzyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 24643690
benzyl 2-[(3-phenoxybenzoyl)amino]acetate
CID 7980431
benzyl 2-[[4-(trifluoromethoxy)benzoyl]amino]acetate
CID 27898594
3-fluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]-4-methylbenzamide
CID 33327149
benzyl 2-[[4-(difluoromethoxy)benzoyl]amino]acetate
CID 30581064
3,4-dimethyl-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide
CID 51220295
benzyl 2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]acetate
CID 26263009
N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride
CID 119279019
(4-methylsulfanylphenyl)methyl 2-benzamidoacetate
CID 7783424
(3-methylphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate
CID 7879494
benzyl 2-[[3-(methanesulfonamido)benzoyl]amino]acetate
CID 30581707

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(3-fluoro-4-methylbenzoyl)amino]acetate?
The IUPAC name of benzyl 2-[(3-fluoro-4-methylbenzoyl)amino]acetate (CID 27711366) is benzyl 2-[(3-fluoro-4-methylbenzoyl)amino]acetate.
What is the SMILES notation for benzyl 2-[(3-fluoro-4-methylbenzoyl)amino]acetate?
The canonical SMILES for benzyl 2-[(3-fluoro-4-methylbenzoyl)amino]acetate is Cc1ccc(C(=O)NCC(=O)OCc2ccccc2)cc1F.
What is the InChIKey of benzyl 2-[(3-fluoro-4-methylbenzoyl)amino]acetate?
The InChIKey is WPZZOURQJVNFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-12-7-8-14(9-15(12)18)17(21)19-10-16(20)22-11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of benzyl 2-[(3-fluoro-4-methylbenzoyl)amino]acetate?
benzyl 2-[(3-fluoro-4-methylbenzoyl)amino]acetate has a molecular weight of 301.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(3-fluoro-4-methylbenzoyl)amino]acetate is sourced from PubChem (CID 27711366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).