ethyl 2-[cyclopropyl-(2,6-difluoro-3-methylbenzoyl)amino]acetate

C15H17F2NO3 — CID 82799836

IUPACethyl 2-[cyclopropyl-(2,6-difluoro-3-methylbenzoyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1c(F)ccc(C)c1F)C1CC1
InChIInChI=1S/C15H17F2NO3/c1-3-21-12(19)8-18(10-5-6-10)15(20)13-11(16)7-4-9(2)14(13)17/h4,7,10H,3,5-6,8H2,1-2H3
InChIKeySFSRSRUAYIXOPY-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.44
Rot. Bonds5

About ethyl 2-[cyclopropyl-(2,6-difluoro-3-methylbenzoyl)amino]acetate

ethyl 2-[cyclopropyl-(2,6-difluoro-3-methylbenzoyl)amino]acetate (PubChem CID 82799836) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-(2,6-difluoro-3-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-(2,6-difluoro-3-methylbenzoyl)amino]acetate
PubChem CID82799836
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Nameethyl 2-[cyclopropyl-(2,6-difluoro-3-methylbenzoyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1c(F)ccc(C)c1F)C1CC1
InChIInChI=1S/C15H17F2NO3/c1-3-21-12(19)8-18(10-5-6-10)15(20)13-11(16)7-4-9(2)14(13)17/h4,7,10H,3,5-6,8H2,1-2H3
InChIKeySFSRSRUAYIXOPY-UHFFFAOYSA-N
XLogP2.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]acetate
CID 65434241
ethyl 2-[cyclopropyl-(3,4-difluorobenzoyl)amino]acetate
CID 61410094
ethyl 2-[cyclopropyl-(2-fluoro-5-methylbenzoyl)amino]acetate
CID 62510142
N-ethyl-2,6-difluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 82816613
N-(3-aminopropyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide
CID 82798367
ethyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopropylamino]acetate
CID 79035812
ethyl 2-[(3-chloro-2-fluorobenzoyl)-cyclopropylamino]acetate
CID 80977006
ethyl 2-[(4-carbamoylbenzoyl)-cyclopropylamino]acetate
CID 47981242
N-(cyanomethyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide
CID 82814308
ethyl 2-[cyclopropyl-(5-fluoropyridine-3-carbonyl)amino]acetate
CID 115694608
ethyl 2-[cyclopropyl-(4-iodobenzoyl)amino]acetate
CID 61400648
ethyl 2-[(4-amino-3-methylbenzoyl)-cyclopropylamino]acetate
CID 60953815

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-(2,6-difluoro-3-methylbenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-(2,6-difluoro-3-methylbenzoyl)amino]acetate (CID 82799836) is ethyl 2-[cyclopropyl-(2,6-difluoro-3-methylbenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-(2,6-difluoro-3-methylbenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-(2,6-difluoro-3-methylbenzoyl)amino]acetate is CCOC(=O)CN(C(=O)c1c(F)ccc(C)c1F)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-(2,6-difluoro-3-methylbenzoyl)amino]acetate?
The InChIKey is SFSRSRUAYIXOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO3/c1-3-21-12(19)8-18(10-5-6-10)15(20)13-11(16)7-4-9(2)14(13)17/h4,7,10H,3,5-6,8H2,1-2H3.
What are the key properties of ethyl 2-[cyclopropyl-(2,6-difluoro-3-methylbenzoyl)amino]acetate?
ethyl 2-[cyclopropyl-(2,6-difluoro-3-methylbenzoyl)amino]acetate has a molecular weight of 297.30 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-(2,6-difluoro-3-methylbenzoyl)amino]acetate is sourced from PubChem (CID 82799836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).