N-(5-chloro-2-cyanophenyl)hexanamide

C13H15ClN2O — CID 60628682

IUPACN-(5-chloro-2-cyanophenyl)hexanamide
SMILESCCCCCC(=O)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C13H15ClN2O/c1-2-3-4-5-13(17)16-12-8-11(14)7-6-10(12)9-15/h6-8H,2-5H2,1H3,(H,16,17)
InChIKeyYNLMJPUXCXOKID-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.73
Rot. Bonds5

About N-(5-chloro-2-cyanophenyl)hexanamide

N-(5-chloro-2-cyanophenyl)hexanamide (PubChem CID 60628682) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)hexanamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)hexanamide
PubChem CID60628682
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC NameN-(5-chloro-2-cyanophenyl)hexanamide
SMILESCCCCCC(=O)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C13H15ClN2O/c1-2-3-4-5-13(17)16-12-8-11(14)7-6-10(12)9-15/h6-8H,2-5H2,1H3,(H,16,17)
InChIKeyYNLMJPUXCXOKID-UHFFFAOYSA-N
XLogP3.73
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dichlorophenyl)hexanamide
CID 5055577
N-(2,5-dichlorophenyl)heptanamide
CID 3294645
N-(5-chloro-2-methylphenyl)decanamide
CID 5144260
N-(5-chloro-2-cyanophenyl)-3-(propan-2-ylamino)propanamide
CID 54920661
6-amino-N-(5-chloro-2-cyanophenyl)-4,4-dimethylhexanamide
CID 65290889
N-(4-chloro-2-fluorophenyl)dodecanamide
CID 4598315
N-(4-chloro-2-fluorophenyl)heptanamide
CID 4055752
N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide
CID 9102944
N-(5-chloro-2-cyanophenyl)-3-(ethylamino)butanamide
CID 55123280
N-(5-chloro-2-cyanophenyl)-2,2-dimethylbutanamide
CID 64919411
4-chloro-2-(decylamino)benzonitrile
CID 64919418
N-(5-chloro-2-cyanophenyl)-2-(2-methylphenyl)acetamide
CID 60645682

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)hexanamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)hexanamide (CID 60628682) is N-(5-chloro-2-cyanophenyl)hexanamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)hexanamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)hexanamide is CCCCCC(=O)Nc1cc(Cl)ccc1C#N.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)hexanamide?
The InChIKey is YNLMJPUXCXOKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-2-3-4-5-13(17)16-12-8-11(14)7-6-10(12)9-15/h6-8H,2-5H2,1H3,(H,16,17).
What are the key properties of N-(5-chloro-2-cyanophenyl)hexanamide?
N-(5-chloro-2-cyanophenyl)hexanamide has a molecular weight of 250.73 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)hexanamide is sourced from PubChem (CID 60628682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).