3-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylbenzamide

C16H14BrCl2NO — CID 107952071

IUPAC3-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylbenzamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C16H14BrCl2NO/c1-10(11-3-5-14(18)6-4-11)20(2)16(21)12-7-13(17)9-15(19)8-12/h3-10H,1-2H3
InChIKeyKZNFOUAKIAZVSM-UHFFFAOYSA-N
MW387.10 g/mol
LogP5.59
Rot. Bonds3

About 3-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylbenzamide

3-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylbenzamide (PubChem CID 107952071) has the molecular formula C16H14BrCl2NO and a molecular weight of 387.10 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylbenzamide
PubChem CID107952071
Molecular FormulaC16H14BrCl2NO
Molecular Weight387.10 g/mol
Exact Mass384.96
IUPAC Name3-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylbenzamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C16H14BrCl2NO/c1-10(11-3-5-14(18)6-4-11)20(2)16(21)12-7-13(17)9-15(19)8-12/h3-10H,1-2H3
InChIKeyKZNFOUAKIAZVSM-UHFFFAOYSA-N
XLogP5.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.10
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[1-(4-chlorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 46580574
3-bromo-5-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 107952079
2,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 60735316
3-bromo-5-chloro-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 103826716
3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 103827012
2-amino-4-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylbenzamide
CID 79703626
N-[(1R)-1-(4-chlorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzamide
CID 31827609
N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide
CID 47023702
3-bromo-5-chloro-N-(3-hydroxybutyl)-N-methylbenzamide
CID 103827200
3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 103909933
3-bromo-5-chloro-N-ethyl-N-methylbenzamide
CID 103826781
3,5-dibromo-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 107980294

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylbenzamide?
The IUPAC name of 3-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylbenzamide (CID 107952071) is 3-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylbenzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylbenzamide is CC(c1ccc(Cl)cc1)N(C)C(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylbenzamide?
The InChIKey is KZNFOUAKIAZVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrCl2NO/c1-10(11-3-5-14(18)6-4-11)20(2)16(21)12-7-13(17)9-15(19)8-12/h3-10H,1-2H3.
What are the key properties of 3-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylbenzamide?
3-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylbenzamide has a molecular weight of 387.10 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 107952071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).