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

C12H15FN2O3 — CID 62813455

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

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

ethyl 2-[(4-fluoro-3-methylphenyl)carbamoylamino]acetate (PubChem CID 62813455) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is ethyl 2-[(4-fluoro-3-methylphenyl)carbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-fluoro-3-methylphenyl)carbamoylamino]acetate
PubChem CID62813455
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Nameethyl 2-[(4-fluoro-3-methylphenyl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1ccc(F)c(C)c1
InChIInChI=1S/C12H15FN2O3/c1-3-18-11(16)7-14-12(17)15-9-4-5-10(13)8(2)6-9/h4-6H,3,7H2,1-2H3,(H2,14,15,17)
InChIKeyAMETUSPTSFSUOT-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

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Related Compounds

ethyl 2-[(3,4-difluorophenyl)carbamoylamino]acetate
CID 17174426
ethyl 2-[(3-fluoro-4-methylphenyl)carbamoylamino]acetate
CID 43385057
ethyl 2-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]acetate
CID 60706555
2-ethyl-2-[[(4-fluoro-3-methylphenyl)carbamoylamino]methyl]butanoic acid
CID 115431128
ethyl 2-[(2,3,5,6-tetrafluorophenyl)carbamoylamino]acetate
CID 103601355
methyl 4-[(2-ethoxy-2-oxoethyl)carbamoylamino]benzoate
CID 127584836
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
propyl N-(4-fluoro-3-methylphenyl)carbamate
CID 59576509
2-ethyl-2-[(4-fluoro-3-methylphenyl)carbamoylamino]butanoic acid
CID 79803594

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-fluoro-3-methylphenyl)carbamoylamino]acetate?
The IUPAC name of ethyl 2-[(4-fluoro-3-methylphenyl)carbamoylamino]acetate (CID 62813455) is ethyl 2-[(4-fluoro-3-methylphenyl)carbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-fluoro-3-methylphenyl)carbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(4-fluoro-3-methylphenyl)carbamoylamino]acetate is CCOC(=O)CNC(=O)Nc1ccc(F)c(C)c1.
What is the InChIKey of ethyl 2-[(4-fluoro-3-methylphenyl)carbamoylamino]acetate?
The InChIKey is AMETUSPTSFSUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-3-18-11(16)7-14-12(17)15-9-4-5-10(13)8(2)6-9/h4-6H,3,7H2,1-2H3,(H2,14,15,17).
What are the key properties of ethyl 2-[(4-fluoro-3-methylphenyl)carbamoylamino]acetate?
ethyl 2-[(4-fluoro-3-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-[(4-fluoro-3-methylphenyl)carbamoylamino]acetate is sourced from PubChem (CID 62813455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).