N-[1-(2-bromophenyl)ethyl]-2-(2-chlorophenyl)acetamide

C16H15BrClNO — CID 42998474

IUPACN-[1-(2-bromophenyl)ethyl]-2-(2-chlorophenyl)acetamide
SMILESCC(NC(=O)Cc1ccccc1Cl)c1ccccc1Br
InChIInChI=1S/C16H15BrClNO/c1-11(13-7-3-4-8-14(13)17)19-16(20)10-12-6-2-5-9-15(12)18/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyHECQASIENXZKFY-UHFFFAOYSA-N
MW352.66 g/mol
LogP4.52
Rot. Bonds4

About N-[1-(2-bromophenyl)ethyl]-2-(2-chlorophenyl)acetamide

N-[1-(2-bromophenyl)ethyl]-2-(2-chlorophenyl)acetamide (PubChem CID 42998474) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-2-(2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-2-(2-chlorophenyl)acetamide
PubChem CID42998474
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC NameN-[1-(2-bromophenyl)ethyl]-2-(2-chlorophenyl)acetamide
SMILESCC(NC(=O)Cc1ccccc1Cl)c1ccccc1Br
InChIInChI=1S/C16H15BrClNO/c1-11(13-7-3-4-8-14(13)17)19-16(20)10-12-6-2-5-9-15(12)18/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyHECQASIENXZKFY-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.66
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78807026
N-[1-(2-bromophenyl)ethyl]-2-chlorobenzamide
CID 42998565
2-(4-aminophenyl)-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide
CID 81383148
2-(2-chlorophenyl)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 17327434
N-[(1R)-1-(2-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 8759784
N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 8759712
N-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide
CID 79205047
3-amino-N-[1-(2-bromophenyl)ethyl]butanamide
CID 60837651
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9090600
N-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide
CID 79204955
2-[[2-(2-chlorophenyl)acetyl]amino]-3-hydroxybutanoic acid
CID 43175926
2-(2-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 25337037

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-(2-chlorophenyl)acetamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-(2-chlorophenyl)acetamide (CID 42998474) is N-[1-(2-bromophenyl)ethyl]-2-(2-chlorophenyl)acetamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-2-(2-chlorophenyl)acetamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-2-(2-chlorophenyl)acetamide is CC(NC(=O)Cc1ccccc1Cl)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-2-(2-chlorophenyl)acetamide?
The InChIKey is HECQASIENXZKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c1-11(13-7-3-4-8-14(13)17)19-16(20)10-12-6-2-5-9-15(12)18/h2-9,11H,10H2,1H3,(H,19,20).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-2-(2-chlorophenyl)acetamide?
N-[1-(2-bromophenyl)ethyl]-2-(2-chlorophenyl)acetamide has a molecular weight of 352.66 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-2-(2-chlorophenyl)acetamide is sourced from PubChem (CID 42998474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).