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

C10H9BrClNO3 — CID 80954153

IUPACmethyl 2-[(4-bromo-3-chlorobenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H9BrClNO3/c1-16-9(14)5-13-10(15)6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3,(H,13,15)
InChIKeyDSJWVRIFFLXKES-UHFFFAOYSA-N
MW306.54 g/mol
LogP2.01
Rot. Bonds3

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

methyl 2-[(4-bromo-3-chlorobenzoyl)amino]acetate (PubChem CID 80954153) has the molecular formula C10H9BrClNO3 and a molecular weight of 306.54 g/mol. Its IUPAC name is methyl 2-[(4-bromo-3-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-bromo-3-chlorobenzoyl)amino]acetate
PubChem CID80954153
Molecular FormulaC10H9BrClNO3
Molecular Weight306.54 g/mol
Exact Mass304.95
IUPAC Namemethyl 2-[(4-bromo-3-chlorobenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H9BrClNO3/c1-16-9(14)5-13-10(15)6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3,(H,13,15)
InChIKeyDSJWVRIFFLXKES-UHFFFAOYSA-N
XLogP2.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.54
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate
CID 47421773
4-bromo-3-chloro-N-(2,3-dimethoxypropyl)benzamide
CID 113368724
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
4-[(4-bromo-3-chlorobenzoyl)amino]-3-methoxybutanoic acid
CID 103153043
4-bromo-3-chloro-N-(3-chloro-2-methylpropyl)benzamide
CID 114302596
4-bromo-3-chloro-N-(2-methylbutyl)benzamide
CID 81308083
ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 5039478
4-bromo-3-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103773770
N-(3-aminobutyl)-4-bromo-3-chlorobenzamide
CID 81295761
4-bromo-3-chloro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 81307457
N-(4-aminobutyl)-4-bromo-3-chlorobenzamide
CID 81290247
4-bromo-N-(4-bromopentyl)-3-chlorobenzamide
CID 106130615

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-bromo-3-chlorobenzoyl)amino]acetate?
The IUPAC name of methyl 2-[(4-bromo-3-chlorobenzoyl)amino]acetate (CID 80954153) is methyl 2-[(4-bromo-3-chlorobenzoyl)amino]acetate.
What is the SMILES notation for methyl 2-[(4-bromo-3-chlorobenzoyl)amino]acetate?
The canonical SMILES for methyl 2-[(4-bromo-3-chlorobenzoyl)amino]acetate is COC(=O)CNC(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of methyl 2-[(4-bromo-3-chlorobenzoyl)amino]acetate?
The InChIKey is DSJWVRIFFLXKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClNO3/c1-16-9(14)5-13-10(15)6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3,(H,13,15).
What are the key properties of methyl 2-[(4-bromo-3-chlorobenzoyl)amino]acetate?
methyl 2-[(4-bromo-3-chlorobenzoyl)amino]acetate has a molecular weight of 306.54 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-bromo-3-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 80954153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).