N-[(4-chlorophenyl)methyl]hexanamide

C13H18ClNO — CID 4092607

IUPACN-[(4-chlorophenyl)methyl]hexanamide
SMILESCCCCCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO/c1-2-3-4-5-13(16)15-10-11-6-8-12(14)9-7-11/h6-9H,2-5,10H2,1H3,(H,15,16)
InChIKeyFGHCZRALODBTOD-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.54
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]hexanamide

N-[(4-chlorophenyl)methyl]hexanamide (PubChem CID 4092607) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]hexanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]hexanamide
PubChem CID4092607
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC NameN-[(4-chlorophenyl)methyl]hexanamide
SMILESCCCCCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO/c1-2-3-4-5-13(16)15-10-11-6-8-12(14)9-7-11/h6-9H,2-5,10H2,1H3,(H,15,16)
InChIKeyFGHCZRALODBTOD-UHFFFAOYSA-N
XLogP3.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]hexanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]hexanamide (CID 4092607) is N-[(4-chlorophenyl)methyl]hexanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]hexanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]hexanamide is CCCCCC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]hexanamide?
The InChIKey is FGHCZRALODBTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-2-3-4-5-13(16)15-10-11-6-8-12(14)9-7-11/h6-9H,2-5,10H2,1H3,(H,15,16).
What are the key properties of N-[(4-chlorophenyl)methyl]hexanamide?
N-[(4-chlorophenyl)methyl]hexanamide has a molecular weight of 239.75 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]hexanamide is sourced from PubChem (CID 4092607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).