methyl 2-[(4-bromo-3-chlorobenzoyl)-cyclopentylamino]acetate

C15H17BrClNO3 — CID 80998116

IUPACmethyl 2-[(4-bromo-3-chlorobenzoyl)-cyclopentylamino]acetate
SMILESCOC(=O)CN(C(=O)c1ccc(Br)c(Cl)c1)C1CCCC1
InChIInChI=1S/C15H17BrClNO3/c1-21-14(19)9-18(11-4-2-3-5-11)15(20)10-6-7-12(16)13(17)8-10/h6-8,11H,2-5,9H2,1H3
InChIKeyJZQKSMXZRRPDCB-UHFFFAOYSA-N
MW374.66 g/mol
LogP3.66
Rot. Bonds4

About methyl 2-[(4-bromo-3-chlorobenzoyl)-cyclopentylamino]acetate

methyl 2-[(4-bromo-3-chlorobenzoyl)-cyclopentylamino]acetate (PubChem CID 80998116) has the molecular formula C15H17BrClNO3 and a molecular weight of 374.66 g/mol. Its IUPAC name is methyl 2-[(4-bromo-3-chlorobenzoyl)-cyclopentylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-bromo-3-chlorobenzoyl)-cyclopentylamino]acetate
PubChem CID80998116
Molecular FormulaC15H17BrClNO3
Molecular Weight374.66 g/mol
Exact Mass373.01
IUPAC Namemethyl 2-[(4-bromo-3-chlorobenzoyl)-cyclopentylamino]acetate
SMILESCOC(=O)CN(C(=O)c1ccc(Br)c(Cl)c1)C1CCCC1
InChIInChI=1S/C15H17BrClNO3/c1-21-14(19)9-18(11-4-2-3-5-11)15(20)10-6-7-12(16)13(17)8-10/h6-8,11H,2-5,9H2,1H3
InChIKeyJZQKSMXZRRPDCB-UHFFFAOYSA-N
XLogP3.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.66
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(3-chloro-4-methylbenzoyl)-cyclopentylamino]acetate
CID 80718269
4-bromo-3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide
CID 80999167
methyl 2-[cyclopentyl-(3-methoxybenzoyl)amino]acetate
CID 80717814
methyl 2-[cyclopentyl(1H-indole-6-carbonyl)amino]acetate
CID 75381587
methyl 2-[(4-chloro-2-methylbenzoyl)-cyclopentylamino]acetate
CID 103782927
methyl 2-[cyclopentyl(pyridine-4-carbonyl)amino]acetate
CID 80709522
methyl 2-[cyclopentyl-(2,5-dibromothiophene-3-carbonyl)amino]acetate
CID 103769492
methyl 2-[cyclopentyl-(6-methylpyridine-3-carbonyl)amino]acetate
CID 80709959
methyl 2-[(4-bromo-3-chlorobenzoyl)amino]acetate
CID 80954153
N-[2-(aminomethyl)cyclohexyl]-4-bromo-3-chloro-N-ethylbenzamide
CID 81294148
2-[(3-chloro-4-hydroxybenzoyl)-cyclopentylamino]acetic acid
CID 60826765
methyl 2-[(5-bromo-2-hydroxybenzoyl)-cyclopentylamino]acetate
CID 103769480

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-bromo-3-chlorobenzoyl)-cyclopentylamino]acetate?
The IUPAC name of methyl 2-[(4-bromo-3-chlorobenzoyl)-cyclopentylamino]acetate (CID 80998116) is methyl 2-[(4-bromo-3-chlorobenzoyl)-cyclopentylamino]acetate.
What is the SMILES notation for methyl 2-[(4-bromo-3-chlorobenzoyl)-cyclopentylamino]acetate?
The canonical SMILES for methyl 2-[(4-bromo-3-chlorobenzoyl)-cyclopentylamino]acetate is COC(=O)CN(C(=O)c1ccc(Br)c(Cl)c1)C1CCCC1.
What is the InChIKey of methyl 2-[(4-bromo-3-chlorobenzoyl)-cyclopentylamino]acetate?
The InChIKey is JZQKSMXZRRPDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNO3/c1-21-14(19)9-18(11-4-2-3-5-11)15(20)10-6-7-12(16)13(17)8-10/h6-8,11H,2-5,9H2,1H3.
What are the key properties of methyl 2-[(4-bromo-3-chlorobenzoyl)-cyclopentylamino]acetate?
methyl 2-[(4-bromo-3-chlorobenzoyl)-cyclopentylamino]acetate has a molecular weight of 374.66 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-bromo-3-chlorobenzoyl)-cyclopentylamino]acetate is sourced from PubChem (CID 80998116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).