2-(3-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]acetamide

C16H15BrClNO — CID 113098238

IUPAC2-(3-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]acetamide
SMILESO=C(Cc1cccc(Br)c1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H15BrClNO/c17-14-3-1-2-13(10-14)11-16(20)19-9-8-12-4-6-15(18)7-5-12/h1-7,10H,8-9,11H2,(H,19,20)
InChIKeyKGVNDDNSUQTOAT-UHFFFAOYSA-N
MW352.66 g/mol
LogP4.00
Rot. Bonds5

About 2-(3-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]acetamide

2-(3-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]acetamide (PubChem CID 113098238) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]acetamide
PubChem CID113098238
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC Name2-(3-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]acetamide
SMILESO=C(Cc1cccc(Br)c1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H15BrClNO/c17-14-3-1-2-13(10-14)11-16(20)19-9-8-12-4-6-15(18)7-5-12/h1-7,10H,8-9,11H2,(H,19,20)
InChIKeyKGVNDDNSUQTOAT-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.66
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-N-[2-(3-bromophenyl)ethyl]propanamide
CID 94697083
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
2-(3-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide
CID 113090395
2-(3-bromophenyl)-N-(5-chloropentyl)acetamide
CID 107320862
2-(3-bromophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]acetamide
CID 86877152
N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dichlorophenyl)acetamide
CID 9217667
N-(4-bromobutyl)-2-(3-bromophenyl)acetamide
CID 106845789
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329
4-bromo-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 2118904
N-[2-(3-chlorophenyl)ethyl]-2-[2-(4-chlorophenyl)ethylamino]acetamide
CID 109002830
N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dibromophenoxy)acetamide
CID 2632590

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]acetamide (CID 113098238) is 2-(3-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]acetamide is O=C(Cc1cccc(Br)c1)NCCc1ccc(Cl)cc1.
What is the InChIKey of 2-(3-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]acetamide?
The InChIKey is KGVNDDNSUQTOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c17-14-3-1-2-13(10-14)11-16(20)19-9-8-12-4-6-15(18)7-5-12/h1-7,10H,8-9,11H2,(H,19,20).
What are the key properties of 2-(3-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]acetamide?
2-(3-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]acetamide has a molecular weight of 352.66 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 113098238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).