2-bromo-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide

C11H12BrClN2O2 — CID 108571223

IUPAC2-bromo-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
SMILESO=C(CCl)NCCNC(=O)c1ccccc1Br
InChIInChI=1S/C11H12BrClN2O2/c12-9-4-2-1-3-8(9)11(17)15-6-5-14-10(16)7-13/h1-4H,5-7H2,(H,14,16)(H,15,17)
InChIKeyMZSYUSDWWFWYJU-UHFFFAOYSA-N
MW319.59 g/mol
LogP1.53
Rot. Bonds5

About 2-bromo-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide

2-bromo-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide (PubChem CID 108571223) has the molecular formula C11H12BrClN2O2 and a molecular weight of 319.59 g/mol. Its IUPAC name is 2-bromo-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
PubChem CID108571223
Molecular FormulaC11H12BrClN2O2
Molecular Weight319.59 g/mol
Exact Mass317.98
IUPAC Name2-bromo-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
SMILESO=C(CCl)NCCNC(=O)c1ccccc1Br
InChIInChI=1S/C11H12BrClN2O2/c12-9-4-2-1-3-8(9)11(17)15-6-5-14-10(16)7-13/h1-4H,5-7H2,(H,14,16)(H,15,17)
InChIKeyMZSYUSDWWFWYJU-UHFFFAOYSA-N
XLogP1.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.59
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-bromo-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide 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

2-bromo-N-(2-chloroethyl)benzamide
CID 12793324
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571462
2-bromo-N-[2-(butanoylamino)ethyl]benzamide
CID 108571199
2-bromo-N-[2-(3,3-dimethylbutanoylamino)ethyl]benzamide
CID 108571210
2-bromo-N-[2-(3-phenylpropanoylamino)ethyl]benzamide
CID 108539128
N-[2-[(2-chloroacetyl)amino]ethyl]-2-methoxybenzamide
CID 108570753
2-bromo-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 18162727
2-bromo-N-(2-methylsulfanylethyl)benzamide
CID 51889373
tert-butyl N-[3-[2-[(2-bromobenzoyl)amino]ethylamino]-3-oxopropyl]carbamate
CID 108537195
2-bromo-N-(2-pyrrol-1-ylethyl)benzamide
CID 110716239
2-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 18106416
2-bromo-N-(3-methylsulfinylpropyl)benzamide
CID 115619981

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide (CID 108571223) is 2-bromo-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide is O=C(CCl)NCCNC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide?
The InChIKey is MZSYUSDWWFWYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2O2/c12-9-4-2-1-3-8(9)11(17)15-6-5-14-10(16)7-13/h1-4H,5-7H2,(H,14,16)(H,15,17).
What are the key properties of 2-bromo-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide?
2-bromo-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide has a molecular weight of 319.59 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide is sourced from PubChem (CID 108571223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).