N-[2-(3-bromo-2-chlorophenyl)ethyl]-2-chloroacetamide

C10H10BrCl2NO — CID 166431390

IUPACN-[2-(3-bromo-2-chlorophenyl)ethyl]-2-chloroacetamide
SMILESO=C(CCl)NCCc1cccc(Br)c1Cl
InChIInChI=1S/C10H10BrCl2NO/c11-8-3-1-2-7(10(8)13)4-5-14-9(15)6-12/h1-3H,4-6H2,(H,14,15)
InChIKeyKAASCZMFKSKHPO-UHFFFAOYSA-N
MW311.01 g/mol
LogP3.00
Rot. Bonds4

About N-[2-(3-bromo-2-chlorophenyl)ethyl]-2-chloroacetamide

N-[2-(3-bromo-2-chlorophenyl)ethyl]-2-chloroacetamide (PubChem CID 166431390) has the molecular formula C10H10BrCl2NO and a molecular weight of 311.01 g/mol. Its IUPAC name is N-[2-(3-bromo-2-chlorophenyl)ethyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[2-(3-bromo-2-chlorophenyl)ethyl]-2-chloroacetamide
PubChem CID166431390
Molecular FormulaC10H10BrCl2NO
Molecular Weight311.01 g/mol
Exact Mass308.93
IUPAC NameN-[2-(3-bromo-2-chlorophenyl)ethyl]-2-chloroacetamide
SMILESO=C(CCl)NCCc1cccc(Br)c1Cl
InChIInChI=1S/C10H10BrCl2NO/c11-8-3-1-2-7(10(8)13)4-5-14-9(15)6-12/h1-3H,4-6H2,(H,14,15)
InChIKeyKAASCZMFKSKHPO-UHFFFAOYSA-N
XLogP3.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.01
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(3-chloro-2-fluorophenyl)ethyl]acetamide
CID 166409215
2-chloro-N-[2-(2-ethylphenyl)ethyl]acetamide
CID 166408958
N-[2-(2-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide
CID 166424763
2-bromo-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571223
N-[2-(2-bromo-5-methoxyphenyl)ethyl]-2-chloroacetamide
CID 166415743
5-bromo-N-[2-[2-(2,3-dichlorophenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide
CID 55866728
2-(2-bromophenyl)-N-(2-phenylethyl)acetamide
CID 86025438
N-[2-(2-bromophenyl)ethyl]-3-methylsulfanylpropanamide
CID 71935204
methyl 4-[2-(2-bromophenyl)ethylamino]-4-oxobutanoate
CID 115174690
(3-bromo-2-chlorophenyl)methyl carbamate
CID 175597039
N-[(2-bromophenyl)methylcarbamoyl]-2-chloroacetamide
CID 61414332
2-chloro-3-[[(2-chloroacetyl)amino]methyl]benzoic acid
CID 119094730

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromo-2-chlorophenyl)ethyl]-2-chloroacetamide?
The IUPAC name of N-[2-(3-bromo-2-chlorophenyl)ethyl]-2-chloroacetamide (CID 166431390) is N-[2-(3-bromo-2-chlorophenyl)ethyl]-2-chloroacetamide.
What is the SMILES notation for N-[2-(3-bromo-2-chlorophenyl)ethyl]-2-chloroacetamide?
The canonical SMILES for N-[2-(3-bromo-2-chlorophenyl)ethyl]-2-chloroacetamide is O=C(CCl)NCCc1cccc(Br)c1Cl.
What is the InChIKey of N-[2-(3-bromo-2-chlorophenyl)ethyl]-2-chloroacetamide?
The InChIKey is KAASCZMFKSKHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrCl2NO/c11-8-3-1-2-7(10(8)13)4-5-14-9(15)6-12/h1-3H,4-6H2,(H,14,15).
What are the key properties of N-[2-(3-bromo-2-chlorophenyl)ethyl]-2-chloroacetamide?
N-[2-(3-bromo-2-chlorophenyl)ethyl]-2-chloroacetamide has a molecular weight of 311.01 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromo-2-chlorophenyl)ethyl]-2-chloroacetamide is sourced from PubChem (CID 166431390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).