methyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopentylamino]acetate

C15H17ClFNO3 — CID 80718193

IUPACmethyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopentylamino]acetate
SMILESCOC(=O)CN(C(=O)c1cccc(F)c1Cl)C1CCCC1
InChIInChI=1S/C15H17ClFNO3/c1-21-13(19)9-18(10-5-2-3-6-10)15(20)11-7-4-8-12(17)14(11)16/h4,7-8,10H,2-3,5-6,9H2,1H3
InChIKeyNFXFBRQOWWXPRW-UHFFFAOYSA-N
MW313.76 g/mol
LogP3.04
Rot. Bonds4

About methyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopentylamino]acetate

methyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopentylamino]acetate (PubChem CID 80718193) has the molecular formula C15H17ClFNO3 and a molecular weight of 313.76 g/mol. Its IUPAC name is methyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopentylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopentylamino]acetate
PubChem CID80718193
Molecular FormulaC15H17ClFNO3
Molecular Weight313.76 g/mol
Exact Mass313.09
IUPAC Namemethyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopentylamino]acetate
SMILESCOC(=O)CN(C(=O)c1cccc(F)c1Cl)C1CCCC1
InChIInChI=1S/C15H17ClFNO3/c1-21-13(19)9-18(10-5-2-3-6-10)15(20)11-7-4-8-12(17)14(11)16/h4,7-8,10H,2-3,5-6,9H2,1H3
InChIKeyNFXFBRQOWWXPRW-UHFFFAOYSA-N
XLogP3.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopentylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopropylamino]acetate
CID 79035812
methyl 2-[cyclopentyl-(2-fluoro-4-hydroxybenzoyl)amino]acetate
CID 107677270
methyl 2-[(4-chloro-2-methylbenzoyl)-cyclopentylamino]acetate
CID 103782927
N-cyclopentyl-N-ethyl-2,3-difluorobenzamide
CID 55101771
2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide
CID 173284973
methyl 2-[cyclopentyl-(3-methoxybenzoyl)amino]acetate
CID 80717814
methyl 2-[cyclopentyl-(2,5-dibromothiophene-3-carbonyl)amino]acetate
CID 103769492
ethyl 2-[(3-chloro-2-fluorobenzoyl)-cyclopropylamino]acetate
CID 80977006
methyl 2-[cyclopentyl(thiophene-2-carbonyl)amino]acetate
CID 80709531
methyl 2-[(5-bromo-2-hydroxybenzoyl)-cyclopentylamino]acetate
CID 103769480
N-cyclohexyl-N-ethyl-3-fluoro-2-(methylamino)benzamide
CID 62650072
methyl 2-[(3-chloro-4-methylbenzoyl)-cyclopentylamino]acetate
CID 80718269

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopentylamino]acetate?
The IUPAC name of methyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopentylamino]acetate (CID 80718193) is methyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopentylamino]acetate.
What is the SMILES notation for methyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopentylamino]acetate?
The canonical SMILES for methyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopentylamino]acetate is COC(=O)CN(C(=O)c1cccc(F)c1Cl)C1CCCC1.
What is the InChIKey of methyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopentylamino]acetate?
The InChIKey is NFXFBRQOWWXPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO3/c1-21-13(19)9-18(10-5-2-3-6-10)15(20)11-7-4-8-12(17)14(11)16/h4,7-8,10H,2-3,5-6,9H2,1H3.
What are the key properties of methyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopentylamino]acetate?
methyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopentylamino]acetate has a molecular weight of 313.76 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopentylamino]acetate is sourced from PubChem (CID 80718193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).