N-(5-bromo-2-chlorophenyl)-2-cyano-2-propylpentanamide

C15H18BrClN2O — CID 62907903

IUPACN-(5-bromo-2-chlorophenyl)-2-cyano-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C15H18BrClN2O/c1-3-7-15(10-18,8-4-2)14(20)19-13-9-11(16)5-6-12(13)17/h5-6,9H,3-4,7-8H2,1-2H3,(H,19,20)
InChIKeyZHSQJXIVZYGNNU-UHFFFAOYSA-N
MW357.68 g/mol
LogP5.15
Rot. Bonds6

About N-(5-bromo-2-chlorophenyl)-2-cyano-2-propylpentanamide

N-(5-bromo-2-chlorophenyl)-2-cyano-2-propylpentanamide (PubChem CID 62907903) has the molecular formula C15H18BrClN2O and a molecular weight of 357.68 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-2-cyano-2-propylpentanamide.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-2-cyano-2-propylpentanamide
PubChem CID62907903
Molecular FormulaC15H18BrClN2O
Molecular Weight357.68 g/mol
Exact Mass356.03
IUPAC NameN-(5-bromo-2-chlorophenyl)-2-cyano-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C15H18BrClN2O/c1-3-7-15(10-18,8-4-2)14(20)19-13-9-11(16)5-6-12(13)17/h5-6,9H,3-4,7-8H2,1-2H3,(H,19,20)
InChIKeyZHSQJXIVZYGNNU-UHFFFAOYSA-N
XLogP5.15
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.68
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-(2,5-dichloro-4-methylphenyl)-2-propylpentanamide
CID 104727193
N-(2-bromo-4-cyanophenyl)-2-cyano-2-propylpentanamide
CID 107790774
1-(5-bromo-2-chlorophenyl)-3-propylurea
CID 55027920
1-(5-bromo-2-chlorophenyl)-3-ethylurea
CID 60981700
N-(5-bromo-2-chlorophenyl)-2-cyano-3-methylbutanamide
CID 55132641
2-cyano-N-(2-methyl-3-pyridinyl)-2-propylpentanamide
CID 79043206
N-(5-bromo-2-cyanophenyl)-3-chloro-2,2-dimethylpropanamide
CID 107797781
2-cyano-N-(2,5-dibromophenyl)-2-methylbutanamide
CID 114291248
2-amino-N-(5-bromo-2-chlorophenyl)-2-cyclopropylpropanamide
CID 62908062
3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide
CID 107939178
N-(5-bromo-2-cyanophenyl)-2-(ethylamino)-2-methylpropanamide
CID 107798144
N-(5-bromo-2-chlorophenyl)-3-(methylamino)propanamide
CID 62908403

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-2-cyano-2-propylpentanamide?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-2-cyano-2-propylpentanamide (CID 62907903) is N-(5-bromo-2-chlorophenyl)-2-cyano-2-propylpentanamide.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-2-cyano-2-propylpentanamide?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-2-cyano-2-propylpentanamide is CCCC(C#N)(CCC)C(=O)Nc1cc(Br)ccc1Cl.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-2-cyano-2-propylpentanamide?
The InChIKey is ZHSQJXIVZYGNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN2O/c1-3-7-15(10-18,8-4-2)14(20)19-13-9-11(16)5-6-12(13)17/h5-6,9H,3-4,7-8H2,1-2H3,(H,19,20).
What are the key properties of N-(5-bromo-2-chlorophenyl)-2-cyano-2-propylpentanamide?
N-(5-bromo-2-chlorophenyl)-2-cyano-2-propylpentanamide has a molecular weight of 357.68 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-2-cyano-2-propylpentanamide is sourced from PubChem (CID 62907903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).