methyl 2-[(4-chloro-2-methylbenzoyl)-cyclopentylamino]acetate

C16H20ClNO3 — CID 103782927

IUPACmethyl 2-[(4-chloro-2-methylbenzoyl)-cyclopentylamino]acetate
SMILESCOC(=O)CN(C(=O)c1ccc(Cl)cc1C)C1CCCC1
InChIInChI=1S/C16H20ClNO3/c1-11-9-12(17)7-8-14(11)16(20)18(10-15(19)21-2)13-5-3-4-6-13/h7-9,13H,3-6,10H2,1-2H3
InChIKeyBOVKGAGOPDRXJM-UHFFFAOYSA-N
MW309.79 g/mol
LogP3.21
Rot. Bonds4

About methyl 2-[(4-chloro-2-methylbenzoyl)-cyclopentylamino]acetate

methyl 2-[(4-chloro-2-methylbenzoyl)-cyclopentylamino]acetate (PubChem CID 103782927) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is methyl 2-[(4-chloro-2-methylbenzoyl)-cyclopentylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-chloro-2-methylbenzoyl)-cyclopentylamino]acetate
PubChem CID103782927
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Namemethyl 2-[(4-chloro-2-methylbenzoyl)-cyclopentylamino]acetate
SMILESCOC(=O)CN(C(=O)c1ccc(Cl)cc1C)C1CCCC1
InChIInChI=1S/C16H20ClNO3/c1-11-9-12(17)7-8-14(11)16(20)18(10-15(19)21-2)13-5-3-4-6-13/h7-9,13H,3-6,10H2,1-2H3
InChIKeyBOVKGAGOPDRXJM-UHFFFAOYSA-N
XLogP3.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(cyanomethyl)-N-cyclopentyl-2-methylbenzamide
CID 103780332
methyl 2-[(3-chloro-4-methylbenzoyl)-cyclopentylamino]acetate
CID 80718269
methyl 2-[cyclopentyl-(2-fluoro-4-hydroxybenzoyl)amino]acetate
CID 107677270
methyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopentylamino]acetate
CID 80718193
methyl 2-[(4-bromo-3-chlorobenzoyl)-cyclopentylamino]acetate
CID 80998116
methyl 2-[(5-bromo-2-hydroxybenzoyl)-cyclopentylamino]acetate
CID 103769480
methyl 2-[cyclopentyl(pyridine-4-carbonyl)amino]acetate
CID 80709522
methyl 2-[cyclopentyl-(2,5-dibromothiophene-3-carbonyl)amino]acetate
CID 103769492
methyl 4-[(4-chloro-2-methylbenzoyl)-methylamino]butanoate
CID 103777319
methyl 2-[cyclopentyl-(6-methylpyridine-3-carbonyl)amino]acetate
CID 80709959
methyl 2-[(4-chloro-1-ethylpyrrole-2-carbonyl)-cyclopentylamino]acetate
CID 115535669
4-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 102867141

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chloro-2-methylbenzoyl)-cyclopentylamino]acetate?
The IUPAC name of methyl 2-[(4-chloro-2-methylbenzoyl)-cyclopentylamino]acetate (CID 103782927) is methyl 2-[(4-chloro-2-methylbenzoyl)-cyclopentylamino]acetate.
What is the SMILES notation for methyl 2-[(4-chloro-2-methylbenzoyl)-cyclopentylamino]acetate?
The canonical SMILES for methyl 2-[(4-chloro-2-methylbenzoyl)-cyclopentylamino]acetate is COC(=O)CN(C(=O)c1ccc(Cl)cc1C)C1CCCC1.
What is the InChIKey of methyl 2-[(4-chloro-2-methylbenzoyl)-cyclopentylamino]acetate?
The InChIKey is BOVKGAGOPDRXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3/c1-11-9-12(17)7-8-14(11)16(20)18(10-15(19)21-2)13-5-3-4-6-13/h7-9,13H,3-6,10H2,1-2H3.
What are the key properties of methyl 2-[(4-chloro-2-methylbenzoyl)-cyclopentylamino]acetate?
methyl 2-[(4-chloro-2-methylbenzoyl)-cyclopentylamino]acetate has a molecular weight of 309.79 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chloro-2-methylbenzoyl)-cyclopentylamino]acetate is sourced from PubChem (CID 103782927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).