ethyl 2-[(3-fluoro-4-methylphenyl)carbamoylamino]acetate

C12H15FN2O3 — CID 43385057

IUPACethyl 2-[(3-fluoro-4-methylphenyl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C12H15FN2O3/c1-3-18-11(16)7-14-12(17)15-9-5-4-8(2)10(13)6-9/h4-6H,3,7H2,1-2H3,(H2,14,15,17)
InChIKeyYRWXUNQPYWFQOA-UHFFFAOYSA-N
MW254.26 g/mol
LogP1.82
Rot. Bonds4

About ethyl 2-[(3-fluoro-4-methylphenyl)carbamoylamino]acetate

ethyl 2-[(3-fluoro-4-methylphenyl)carbamoylamino]acetate (PubChem CID 43385057) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is ethyl 2-[(3-fluoro-4-methylphenyl)carbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-fluoro-4-methylphenyl)carbamoylamino]acetate
PubChem CID43385057
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Nameethyl 2-[(3-fluoro-4-methylphenyl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C12H15FN2O3/c1-3-18-11(16)7-14-12(17)15-9-5-4-8(2)10(13)6-9/h4-6H,3,7H2,1-2H3,(H2,14,15,17)
InChIKeyYRWXUNQPYWFQOA-UHFFFAOYSA-N
XLogP1.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[(3-fluoro-4-methylphenyl)carbamoylamino]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

ethyl 2-[(3,4-difluorophenyl)carbamoylamino]acetate
CID 17174426
ethyl 2-[(4-fluoro-3-methylphenyl)carbamoylamino]acetate
CID 62813455
ethyl 2-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]acetate
CID 60706555
methyl 6-[(3-fluoro-4-methylphenyl)carbamoylamino]hexanoate
CID 86914045
ethyl 2-[(2,3,5,6-tetrafluorophenyl)carbamoylamino]acetate
CID 103601355
methyl 4-[(2-ethoxy-2-oxoethyl)carbamoylamino]benzoate
CID 127584836
3-[(3-fluoro-4-methylphenyl)carbamoylamino]-2-methylpropanoic acid
CID 62668647
ethyl 2-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]acetate
CID 108865742
ethyl 2-[[4-(1-hydroxyethyl)phenyl]carbamoylamino]acetate
CID 61340701
ethyl 2-[(2-chloro-4-pyridinyl)carbamoylamino]acetate
CID 134101188
ethyl 2-[(3-propan-2-ylphenyl)carbamoylamino]acetate
CID 43385028
ethyl 2-[(4-propan-2-yloxyphenyl)carbamoylamino]acetate
CID 43445676

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-fluoro-4-methylphenyl)carbamoylamino]acetate?
The IUPAC name of ethyl 2-[(3-fluoro-4-methylphenyl)carbamoylamino]acetate (CID 43385057) is ethyl 2-[(3-fluoro-4-methylphenyl)carbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-fluoro-4-methylphenyl)carbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(3-fluoro-4-methylphenyl)carbamoylamino]acetate is CCOC(=O)CNC(=O)Nc1ccc(C)c(F)c1.
What is the InChIKey of ethyl 2-[(3-fluoro-4-methylphenyl)carbamoylamino]acetate?
The InChIKey is YRWXUNQPYWFQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-3-18-11(16)7-14-12(17)15-9-5-4-8(2)10(13)6-9/h4-6H,3,7H2,1-2H3,(H2,14,15,17).
What are the key properties of ethyl 2-[(3-fluoro-4-methylphenyl)carbamoylamino]acetate?
ethyl 2-[(3-fluoro-4-methylphenyl)carbamoylamino]acetate has a molecular weight of 254.26 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-fluoro-4-methylphenyl)carbamoylamino]acetate is sourced from PubChem (CID 43385057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).