N-[(1R)-1-(4-bromophenyl)ethyl]-2-(3,4-dichlorophenyl)acetamide

C16H14BrCl2NO — CID 7948933

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-2-(3,4-dichlorophenyl)acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrCl2NO/c1-10(12-3-5-13(17)6-4-12)20-16(21)9-11-2-7-14(18)15(19)8-11/h2-8,10H,9H2,1H3,(H,20,21)/t10-/m1/s1
InChIKeyJQKISFSHDNPNEI-SNVBAGLBSA-N
MW387.10 g/mol
LogP5.18
Rot. Bonds4

About N-[(1R)-1-(4-bromophenyl)ethyl]-2-(3,4-dichlorophenyl)acetamide

N-[(1R)-1-(4-bromophenyl)ethyl]-2-(3,4-dichlorophenyl)acetamide (PubChem CID 7948933) has the molecular formula C16H14BrCl2NO and a molecular weight of 387.10 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-2-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-2-(3,4-dichlorophenyl)acetamide
PubChem CID7948933
Molecular FormulaC16H14BrCl2NO
Molecular Weight387.10 g/mol
Exact Mass384.96
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-2-(3,4-dichlorophenyl)acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrCl2NO/c1-10(12-3-5-13(17)6-4-12)20-16(21)9-11-2-7-14(18)15(19)8-11/h2-8,10H,9H2,1H3,(H,20,21)/t10-/m1/s1
InChIKeyJQKISFSHDNPNEI-SNVBAGLBSA-N
XLogP5.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.10
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1R)-1-(4-bromophenyl)ethyl]-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

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-2-(3,4-dichlorophenyl)acetamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-2-(3,4-dichlorophenyl)acetamide (CID 7948933) is N-[(1R)-1-(4-bromophenyl)ethyl]-2-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-2-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-2-(3,4-dichlorophenyl)acetamide is C[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-2-(3,4-dichlorophenyl)acetamide?
The InChIKey is JQKISFSHDNPNEI-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H14BrCl2NO/c1-10(12-3-5-13(17)6-4-12)20-16(21)9-11-2-7-14(18)15(19)8-11/h2-8,10H,9H2,1H3,(H,20,21)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-2-(3,4-dichlorophenyl)acetamide?
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(3,4-dichlorophenyl)acetamide has a molecular weight of 387.10 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]-2-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 7948933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).