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

C16H14BrCl2NO — CID 2110092

IUPAC2-(4-bromophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14BrCl2NO/c17-13-4-1-11(2-5-13)9-16(21)20-8-7-12-3-6-14(18)10-15(12)19/h1-6,10H,7-9H2,(H,20,21)
InChIKeyDKIDJBXULCWTGX-UHFFFAOYSA-N
MW387.10 g/mol
LogP4.66
Rot. Bonds5

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

2-(4-bromophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]acetamide (PubChem CID 2110092) has the molecular formula C16H14BrCl2NO and a molecular weight of 387.10 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
PubChem CID2110092
Molecular FormulaC16H14BrCl2NO
Molecular Weight387.10 g/mol
Exact Mass384.96
IUPAC Name2-(4-bromophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14BrCl2NO/c17-13-4-1-11(2-5-13)9-16(21)20-8-7-12-3-6-14(18)10-15(12)19/h1-6,10H,7-9H2,(H,20,21)
InChIKeyDKIDJBXULCWTGX-UHFFFAOYSA-N
XLogP4.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.10
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]acetamide (CID 2110092) is 2-(4-bromophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]acetamide is O=C(Cc1ccc(Br)cc1)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(4-bromophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]acetamide?
The InChIKey is DKIDJBXULCWTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrCl2NO/c17-13-4-1-11(2-5-13)9-16(21)20-8-7-12-3-6-14(18)10-15(12)19/h1-6,10H,7-9H2,(H,20,21).
What are the key properties of 2-(4-bromophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]acetamide?
2-(4-bromophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]acetamide has a molecular weight of 387.10 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]acetamide is sourced from PubChem (CID 2110092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).