N-[4-(2-bromoethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide

C16H14BrCl2NO — CID 114310214

IUPACN-[4-(2-bromoethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(CCBr)cc1
InChIInChI=1S/C16H14BrCl2NO/c17-8-7-11-1-4-13(5-2-11)20-16(21)10-12-3-6-14(18)15(19)9-12/h1-6,9H,7-8,10H2,(H,20,21)
InChIKeyHMPXOTHNNDGTJM-UHFFFAOYSA-N
MW387.10 g/mol
LogP5.11
Rot. Bonds5

About N-[4-(2-bromoethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide

N-[4-(2-bromoethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide (PubChem CID 114310214) has the molecular formula C16H14BrCl2NO and a molecular weight of 387.10 g/mol. Its IUPAC name is N-[4-(2-bromoethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(2-bromoethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide
PubChem CID114310214
Molecular FormulaC16H14BrCl2NO
Molecular Weight387.10 g/mol
Exact Mass384.96
IUPAC NameN-[4-(2-bromoethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(CCBr)cc1
InChIInChI=1S/C16H14BrCl2NO/c17-8-7-11-1-4-13(5-2-11)20-16(21)10-12-3-6-14(18)15(19)9-12/h1-6,9H,7-8,10H2,(H,20,21)
InChIKeyHMPXOTHNNDGTJM-UHFFFAOYSA-N
XLogP5.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.10
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[4-(2-bromoethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide 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

N-(4-bromophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 2598783
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)acetamide
CID 7957082
N-[4-(2-bromoethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
CID 114310266
2-(3,4-dichlorophenyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575166
N-[4-(2-bromoethyl)phenyl]-2-phenylacetamide
CID 114310172
2-(3,4-dichlorophenyl)-N-(3,4-dimethylphenyl)acetamide
CID 8743954
2-(3,4-dichlorophenyl)-N-naphthalen-2-ylacetamide
CID 7900527
2-(3,4-dichlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 2094790
2-(3,4-dichlorophenyl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 7925219
N-(3-chloro-4-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 2448530
N-[4-(acetylsulfamoyl)phenyl]-2-(3,4-dichlorophenyl)acetamide
CID 2471941
N-(3,4-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107020559

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromoethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide?
The IUPAC name of N-[4-(2-bromoethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide (CID 114310214) is N-[4-(2-bromoethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for N-[4-(2-bromoethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for N-[4-(2-bromoethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(CCBr)cc1.
What is the InChIKey of N-[4-(2-bromoethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide?
The InChIKey is HMPXOTHNNDGTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrCl2NO/c17-8-7-11-1-4-13(5-2-11)20-16(21)10-12-3-6-14(18)15(19)9-12/h1-6,9H,7-8,10H2,(H,20,21).
What are the key properties of N-[4-(2-bromoethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide?
N-[4-(2-bromoethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide has a molecular weight of 387.10 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bromoethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 114310214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).