ethyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopropylamino]acetate

C14H15ClFNO3 — CID 79035812

IUPACethyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1cccc(F)c1Cl)C1CC1
InChIInChI=1S/C14H15ClFNO3/c1-2-20-12(18)8-17(9-6-7-9)14(19)10-4-3-5-11(16)13(10)15/h3-5,9H,2,6-8H2,1H3
InChIKeyUCZXOYAHKVXGKU-UHFFFAOYSA-N
MW299.73 g/mol
LogP2.65
Rot. Bonds5

About ethyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopropylamino]acetate

ethyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopropylamino]acetate (PubChem CID 79035812) has the molecular formula C14H15ClFNO3 and a molecular weight of 299.73 g/mol. Its IUPAC name is ethyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopropylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopropylamino]acetate
PubChem CID79035812
Molecular FormulaC14H15ClFNO3
Molecular Weight299.73 g/mol
Exact Mass299.07
IUPAC Nameethyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1cccc(F)c1Cl)C1CC1
InChIInChI=1S/C14H15ClFNO3/c1-2-20-12(18)8-17(9-6-7-9)14(19)10-4-3-5-11(16)13(10)15/h3-5,9H,2,6-8H2,1H3
InChIKeyUCZXOYAHKVXGKU-UHFFFAOYSA-N
XLogP2.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.73
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(3-chloro-2-fluorobenzoyl)-cyclopropylamino]acetate
CID 80977006
methyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopentylamino]acetate
CID 80718193
ethyl 2-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]acetate
CID 65434241
ethyl 2-[cyclopropyl-(2-fluoro-5-methylbenzoyl)amino]acetate
CID 62510142
ethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetate
CID 61410393
ethyl 2-[cyclopropyl-(2-methylfuran-3-carbonyl)amino]acetate
CID 54983961
ethyl 3-[(2-chloro-3-fluorobenzoyl)-methylamino]propanoate
CID 79035694
ethyl 2-[cyclopropyl-[2-(methoxymethyl)benzoyl]amino]acetate
CID 61410098
ethyl 2-[cyclopropyl-(2,6-difluoro-3-methylbenzoyl)amino]acetate
CID 82799836
ethyl 2-[cyclopropyl-(3,4-difluorobenzoyl)amino]acetate
CID 61410094
ethyl 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetate
CID 60697155
ethyl 2-[cyclopropyl-[2-(2,6-dichlorophenyl)acetyl]amino]acetate
CID 61410087

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopropylamino]acetate?
The IUPAC name of ethyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopropylamino]acetate (CID 79035812) is ethyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopropylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopropylamino]acetate?
The canonical SMILES for ethyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopropylamino]acetate is CCOC(=O)CN(C(=O)c1cccc(F)c1Cl)C1CC1.
What is the InChIKey of ethyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopropylamino]acetate?
The InChIKey is UCZXOYAHKVXGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO3/c1-2-20-12(18)8-17(9-6-7-9)14(19)10-4-3-5-11(16)13(10)15/h3-5,9H,2,6-8H2,1H3.
What are the key properties of ethyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopropylamino]acetate?
ethyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopropylamino]acetate has a molecular weight of 299.73 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopropylamino]acetate is sourced from PubChem (CID 79035812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).