ethyl 2-[ethyl-(5-fluoro-2-methylbenzoyl)amino]acetate

C14H18FNO3 — CID 61073584

IUPACethyl 2-[ethyl-(5-fluoro-2-methylbenzoyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1cc(F)ccc1C
InChIInChI=1S/C14H18FNO3/c1-4-16(9-13(17)19-5-2)14(18)12-8-11(15)7-6-10(12)3/h6-8H,4-5,9H2,1-3H3
InChIKeyPXOVTNZBNSHTAS-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.16
Rot. Bonds5

About ethyl 2-[ethyl-(5-fluoro-2-methylbenzoyl)amino]acetate

ethyl 2-[ethyl-(5-fluoro-2-methylbenzoyl)amino]acetate (PubChem CID 61073584) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is ethyl 2-[ethyl-(5-fluoro-2-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-(5-fluoro-2-methylbenzoyl)amino]acetate
PubChem CID61073584
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Nameethyl 2-[ethyl-(5-fluoro-2-methylbenzoyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1cc(F)ccc1C
InChIInChI=1S/C14H18FNO3/c1-4-16(9-13(17)19-5-2)14(18)12-8-11(15)7-6-10(12)3/h6-8H,4-5,9H2,1-3H3
InChIKeyPXOVTNZBNSHTAS-UHFFFAOYSA-N
XLogP2.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-sulfanylideneethyl)-N-ethyl-5-fluoro-2-methylbenzamide
CID 63049826
methyl 2-[(5-fluoro-2-methylbenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 63047935
N-ethyl-5-fluoro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 60706405
N-ethyl-5-fluoro-N-(3-hydroxypropyl)-2-methylbenzamide
CID 113339465
methyl 2-[(2-amino-5-fluorobenzoyl)-ethylamino]acetate
CID 54998021
N-ethyl-5-fluoro-2-methyl-N-prop-2-ynylbenzamide
CID 78971177
N-(cyanomethyl)-N-ethyl-5-fluoro-2-methylbenzamide
CID 62611797
N-(2-cyanoethyl)-N-ethyl-5-fluoro-2-methylbenzamide
CID 63047743
ethyl 2-[ethyl-(2,4,5-trifluoro-3-hydroxybenzoyl)amino]acetate
CID 61011714
ethane;ethyl 5-fluoro-2-methylbenzoate
CID 143556291
ethyl 2-[(5-bromo-2-chlorobenzoyl)-ethylamino]acetate
CID 61021378
methyl 2-[(2-chloro-4-fluorobenzoyl)-ethylamino]acetate
CID 54979189

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-(5-fluoro-2-methylbenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl-(5-fluoro-2-methylbenzoyl)amino]acetate (CID 61073584) is ethyl 2-[ethyl-(5-fluoro-2-methylbenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-(5-fluoro-2-methylbenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-(5-fluoro-2-methylbenzoyl)amino]acetate is CCOC(=O)CN(CC)C(=O)c1cc(F)ccc1C.
What is the InChIKey of ethyl 2-[ethyl-(5-fluoro-2-methylbenzoyl)amino]acetate?
The InChIKey is PXOVTNZBNSHTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-4-16(9-13(17)19-5-2)14(18)12-8-11(15)7-6-10(12)3/h6-8H,4-5,9H2,1-3H3.
What are the key properties of ethyl 2-[ethyl-(5-fluoro-2-methylbenzoyl)amino]acetate?
ethyl 2-[ethyl-(5-fluoro-2-methylbenzoyl)amino]acetate has a molecular weight of 267.30 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-(5-fluoro-2-methylbenzoyl)amino]acetate is sourced from PubChem (CID 61073584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).