N-benzyl-N-(2-bromoethyl)-2-(3-chlorophenyl)acetamide

C17H17BrClNO — CID 80656058

IUPACN-benzyl-N-(2-bromoethyl)-2-(3-chlorophenyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)N(CCBr)Cc1ccccc1
InChIInChI=1S/C17H17BrClNO/c18-9-10-20(13-14-5-2-1-3-6-14)17(21)12-15-7-4-8-16(19)11-15/h1-8,11H,9-10,12-13H2
InChIKeyXCAUGPZQHGYWHZ-UHFFFAOYSA-N
MW366.69 g/mol
LogP4.31
Rot. Bonds6

About N-benzyl-N-(2-bromoethyl)-2-(3-chlorophenyl)acetamide

N-benzyl-N-(2-bromoethyl)-2-(3-chlorophenyl)acetamide (PubChem CID 80656058) has the molecular formula C17H17BrClNO and a molecular weight of 366.69 g/mol. Its IUPAC name is N-benzyl-N-(2-bromoethyl)-2-(3-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(2-bromoethyl)-2-(3-chlorophenyl)acetamide
PubChem CID80656058
Molecular FormulaC17H17BrClNO
Molecular Weight366.69 g/mol
Exact Mass365.02
IUPAC NameN-benzyl-N-(2-bromoethyl)-2-(3-chlorophenyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)N(CCBr)Cc1ccccc1
InChIInChI=1S/C17H17BrClNO/c18-9-10-20(13-14-5-2-1-3-6-14)17(21)12-15-7-4-8-16(19)11-15/h1-8,11H,9-10,12-13H2
InChIKeyXCAUGPZQHGYWHZ-UHFFFAOYSA-N
XLogP4.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.69
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[[2-(3-chlorophenyl)acetyl]-(3-phenylpropyl)amino]methyl]phenyl]benzoic acid
CID 66775465
N-benzyl-N-(2-bromoethyl)-5-chloro-2-methylbenzamide
CID 82875926
2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 62505484
2-bromo-N-(2-bromoethyl)-N-[(3-chlorophenyl)methyl]ethanamine
CID 46934127
N-benzyl-N-(2-bromoethyl)-2-phenoxyacetamide
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N-benzyl-N-(2-bromoethyl)-2-cyclopropylacetamide
CID 80662251
2-(3-chlorophenyl)-N-(2-cyanoethyl)-N-phenylacetamide
CID 62504093
(2S)-2-[benzyl-[2-(3-chlorophenyl)acetyl]amino]-N-propylbutanamide
CID 100543072
N-(2-chloroethyl)-2-(3-chlorophenyl)-N-(2,2-difluoroethyl)acetamide
CID 107491039
2-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107483052
N-benzyl-2-(3-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 55331004
2-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide
CID 60940145

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-bromoethyl)-2-(3-chlorophenyl)acetamide?
The IUPAC name of N-benzyl-N-(2-bromoethyl)-2-(3-chlorophenyl)acetamide (CID 80656058) is N-benzyl-N-(2-bromoethyl)-2-(3-chlorophenyl)acetamide.
What is the SMILES notation for N-benzyl-N-(2-bromoethyl)-2-(3-chlorophenyl)acetamide?
The canonical SMILES for N-benzyl-N-(2-bromoethyl)-2-(3-chlorophenyl)acetamide is O=C(Cc1cccc(Cl)c1)N(CCBr)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-bromoethyl)-2-(3-chlorophenyl)acetamide?
The InChIKey is XCAUGPZQHGYWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO/c18-9-10-20(13-14-5-2-1-3-6-14)17(21)12-15-7-4-8-16(19)11-15/h1-8,11H,9-10,12-13H2.
What are the key properties of N-benzyl-N-(2-bromoethyl)-2-(3-chlorophenyl)acetamide?
N-benzyl-N-(2-bromoethyl)-2-(3-chlorophenyl)acetamide has a molecular weight of 366.69 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-bromoethyl)-2-(3-chlorophenyl)acetamide is sourced from PubChem (CID 80656058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).