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

C15H18FNO3 — CID 62510142

IUPACethyl 2-[cyclopropyl-(2-fluoro-5-methylbenzoyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1cc(C)ccc1F)C1CC1
InChIInChI=1S/C15H18FNO3/c1-3-20-14(18)9-17(11-5-6-11)15(19)12-8-10(2)4-7-13(12)16/h4,7-8,11H,3,5-6,9H2,1-2H3
InChIKeyUXZUMVYDEBUGHK-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.30
Rot. Bonds5

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

ethyl 2-[cyclopropyl-(2-fluoro-5-methylbenzoyl)amino]acetate (PubChem CID 62510142) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-(2-fluoro-5-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-(2-fluoro-5-methylbenzoyl)amino]acetate
PubChem CID62510142
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Nameethyl 2-[cyclopropyl-(2-fluoro-5-methylbenzoyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1cc(C)ccc1F)C1CC1
InChIInChI=1S/C15H18FNO3/c1-3-20-14(18)9-17(11-5-6-11)15(19)12-8-10(2)4-7-13(12)16/h4,7-8,11H,3,5-6,9H2,1-2H3
InChIKeyUXZUMVYDEBUGHK-UHFFFAOYSA-N
XLogP2.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[cyclopropyl-(2-hydroxy-4-methylbenzoyl)amino]acetate
CID 61410130
ethyl 2-[cyclopropyl-(3,4-difluorobenzoyl)amino]acetate
CID 61410094
ethyl 2-[cyclopropyl-(2,6-difluoro-3-methylbenzoyl)amino]acetate
CID 82799836
ethyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopropylamino]acetate
CID 79035812
N-ethyl-2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide
CID 62514257
ethyl 2-[(3-chloro-2-fluorobenzoyl)-cyclopropylamino]acetate
CID 80977006
ethyl 2-[cyclopropyl-(2-methylfuran-3-carbonyl)amino]acetate
CID 54983961
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-fluoro-5-methylbenzamide
CID 76945662
N-(3-aminopropyl)-N-cyclohexyl-2-fluoro-5-methylbenzamide
CID 62515468
N-(2-bromoethyl)-N-cyclopentyl-2-fluoro-5-methylbenzamide
CID 80659303
N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62510137
ethyl 2-[cyclopropyl(1,2-oxazole-5-carbonyl)amino]acetate
CID 55005865

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-(2-fluoro-5-methylbenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-(2-fluoro-5-methylbenzoyl)amino]acetate (CID 62510142) is ethyl 2-[cyclopropyl-(2-fluoro-5-methylbenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-(2-fluoro-5-methylbenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-(2-fluoro-5-methylbenzoyl)amino]acetate is CCOC(=O)CN(C(=O)c1cc(C)ccc1F)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-(2-fluoro-5-methylbenzoyl)amino]acetate?
The InChIKey is UXZUMVYDEBUGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-3-20-14(18)9-17(11-5-6-11)15(19)12-8-10(2)4-7-13(12)16/h4,7-8,11H,3,5-6,9H2,1-2H3.
What are the key properties of ethyl 2-[cyclopropyl-(2-fluoro-5-methylbenzoyl)amino]acetate?
ethyl 2-[cyclopropyl-(2-fluoro-5-methylbenzoyl)amino]acetate has a molecular weight of 279.31 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-(2-fluoro-5-methylbenzoyl)amino]acetate is sourced from PubChem (CID 62510142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).