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

C16H14BrCl2NO — CID 7948932

IUPACN-[(1S)-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-/m0/s1
InChIKeyJQKISFSHDNPNEI-JTQLQIEISA-N
MW387.10 g/mol
LogP5.18
Rot. Bonds4

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

N-[(1S)-1-(4-bromophenyl)ethyl]-2-(3,4-dichlorophenyl)acetamide (PubChem CID 7948932) has the molecular formula C16H14BrCl2NO and a molecular weight of 387.10 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]-2-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)ethyl]-2-(3,4-dichlorophenyl)acetamide
PubChem CID7948932
Molecular FormulaC16H14BrCl2NO
Molecular Weight387.10 g/mol
Exact Mass384.96
IUPAC NameN-[(1S)-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-/m0/s1
InChIKeyJQKISFSHDNPNEI-JTQLQIEISA-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-[(1S)-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

Related Compounds

2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751622
2-(3,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329640
N-[1-(4-bromophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 47097775
2-(4-bromophenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 9164817
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 8025380
3-(3,4-dichlorophenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
CID 100598401
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 7725126
2-(4-bromophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096212
N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide
CID 94336012
N-(4-bromophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 2598783
N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloropropanamide
CID 81359144

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-2-(3,4-dichlorophenyl)acetamide?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-2-(3,4-dichlorophenyl)acetamide (CID 7948932) is N-[(1S)-1-(4-bromophenyl)ethyl]-2-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]-2-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for N-[(1S)-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-[(1S)-1-(4-bromophenyl)ethyl]-2-(3,4-dichlorophenyl)acetamide?
The InChIKey is JQKISFSHDNPNEI-JTQLQIEISA-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-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]-2-(3,4-dichlorophenyl)acetamide?
N-[(1S)-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-[(1S)-1-(4-bromophenyl)ethyl]-2-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 7948932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).