methyl 2-[(3-bromo-2-chlorobenzoyl)-methylamino]acetate

C11H11BrClNO3 — CID 103994339

IUPACmethyl 2-[(3-bromo-2-chlorobenzoyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C11H11BrClNO3/c1-14(6-9(15)17-2)11(16)7-4-3-5-8(12)10(7)13/h3-5H,6H2,1-2H3
InChIKeyFCAZTTNKLVSDHQ-UHFFFAOYSA-N
MW320.57 g/mol
LogP2.35
Rot. Bonds3

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

methyl 2-[(3-bromo-2-chlorobenzoyl)-methylamino]acetate (PubChem CID 103994339) has the molecular formula C11H11BrClNO3 and a molecular weight of 320.57 g/mol. Its IUPAC name is methyl 2-[(3-bromo-2-chlorobenzoyl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-bromo-2-chlorobenzoyl)-methylamino]acetate
PubChem CID103994339
Molecular FormulaC11H11BrClNO3
Molecular Weight320.57 g/mol
Exact Mass318.96
IUPAC Namemethyl 2-[(3-bromo-2-chlorobenzoyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C11H11BrClNO3/c1-14(6-9(15)17-2)11(16)7-4-3-5-8(12)10(7)13/h3-5H,6H2,1-2H3
InChIKeyFCAZTTNKLVSDHQ-UHFFFAOYSA-N
XLogP2.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.57
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 113361108
3-bromo-2-chloro-N-methyl-N-(2-methylprop-2-enyl)benzamide
CID 103993167
methyl 2-[(3-chloro-2-fluorobenzoyl)-methylamino]acetate
CID 80979404
methyl 2-[(2,6-dichlorobenzoyl)-methylamino]acetate
CID 43422763
3-bromo-2-chloro-N-methyl-N-(3-methylbutyl)benzamide
CID 103988541
3-bromo-2-chloro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 103975419
methyl 2-[(2-methoxybenzoyl)-methylamino]acetate
CID 584991
3-bromo-2-chloro-N,N-diethylbenzamide
CID 103975185
ethyl 2-[(2-bromobenzoyl)-methylamino]acetate
CID 54982790
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-bromo-2-chloro-N-methylbenzamide
CID 113402939
methyl 2-[(2-chloro-4-methylbenzoyl)-methylamino]acetate
CID 106509702
methyl 2-[(4-chloro-2-fluorobenzoyl)-methylamino]acetate
CID 43408243

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-bromo-2-chlorobenzoyl)-methylamino]acetate?
The IUPAC name of methyl 2-[(3-bromo-2-chlorobenzoyl)-methylamino]acetate (CID 103994339) is methyl 2-[(3-bromo-2-chlorobenzoyl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(3-bromo-2-chlorobenzoyl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(3-bromo-2-chlorobenzoyl)-methylamino]acetate is COC(=O)CN(C)C(=O)c1cccc(Br)c1Cl.
What is the InChIKey of methyl 2-[(3-bromo-2-chlorobenzoyl)-methylamino]acetate?
The InChIKey is FCAZTTNKLVSDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO3/c1-14(6-9(15)17-2)11(16)7-4-3-5-8(12)10(7)13/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-[(3-bromo-2-chlorobenzoyl)-methylamino]acetate?
methyl 2-[(3-bromo-2-chlorobenzoyl)-methylamino]acetate has a molecular weight of 320.57 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-bromo-2-chlorobenzoyl)-methylamino]acetate is sourced from PubChem (CID 103994339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).