N-[(3-chlorocyclohexyl)methyl]heptanamide

C14H26ClNO — CID 106132379

IUPACN-[(3-chlorocyclohexyl)methyl]heptanamide
SMILESCCCCCCC(=O)NCC1CCCC(Cl)C1
InChIInChI=1S/C14H26ClNO/c1-2-3-4-5-9-14(17)16-11-12-7-6-8-13(15)10-12/h12-13H,2-11H2,1H3,(H,16,17)
InChIKeyFIXSIVQBRWHBQE-UHFFFAOYSA-N
MW259.82 g/mol
LogP3.87
Rot. Bonds7

About N-[(3-chlorocyclohexyl)methyl]heptanamide

N-[(3-chlorocyclohexyl)methyl]heptanamide (PubChem CID 106132379) has the molecular formula C14H26ClNO and a molecular weight of 259.82 g/mol. Its IUPAC name is N-[(3-chlorocyclohexyl)methyl]heptanamide.

Molecular Properties

Compound NameN-[(3-chlorocyclohexyl)methyl]heptanamide
PubChem CID106132379
Molecular FormulaC14H26ClNO
Molecular Weight259.82 g/mol
Exact Mass259.17
IUPAC NameN-[(3-chlorocyclohexyl)methyl]heptanamide
SMILESCCCCCCC(=O)NCC1CCCC(Cl)C1
InChIInChI=1S/C14H26ClNO/c1-2-3-4-5-9-14(17)16-11-12-7-6-8-13(15)10-12/h12-13H,2-11H2,1H3,(H,16,17)
InChIKeyFIXSIVQBRWHBQE-UHFFFAOYSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.82
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(3-chlorocyclohexyl)methyl]heptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chlorocyclopentyl)methyl]decanamide
CID 106126403
N-[(3-chlorocyclopentyl)methyl]pentanamide
CID 106127433
N-[(4-chlorocyclohexyl)methyl]octanamide
CID 106133761
N-[(3-chlorocyclohexyl)methyl]dodecan-1-amine
CID 106122733
N-[(3-chlorocyclopentyl)methyl]butanamide
CID 106126960
N-[(3-hydroxycyclobutyl)methyl]dodecanamide
CID 66006246
N-[[2-(chloromethyl)cyclopentyl]methyl]octanamide
CID 113273844
N-[[2-(chloromethyl)cyclopentyl]methyl]decanamide
CID 114306695
N-[(2-chlorocyclohexyl)methyl]decanamide
CID 114301448
N-(piperidin-4-ylmethyl)heptanamide
CID 115736684
N-[(3-chlorocyclohexyl)methyl]-3-methylpentanamide
CID 106132381
N-(pyrrolidin-3-ylmethyl)dodecanamide
CID 80564166

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclohexyl)methyl]heptanamide?
The IUPAC name of N-[(3-chlorocyclohexyl)methyl]heptanamide (CID 106132379) is N-[(3-chlorocyclohexyl)methyl]heptanamide.
What is the SMILES notation for N-[(3-chlorocyclohexyl)methyl]heptanamide?
The canonical SMILES for N-[(3-chlorocyclohexyl)methyl]heptanamide is CCCCCCC(=O)NCC1CCCC(Cl)C1.
What is the InChIKey of N-[(3-chlorocyclohexyl)methyl]heptanamide?
The InChIKey is FIXSIVQBRWHBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClNO/c1-2-3-4-5-9-14(17)16-11-12-7-6-8-13(15)10-12/h12-13H,2-11H2,1H3,(H,16,17).
What are the key properties of N-[(3-chlorocyclohexyl)methyl]heptanamide?
N-[(3-chlorocyclohexyl)methyl]heptanamide has a molecular weight of 259.82 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclohexyl)methyl]heptanamide is sourced from PubChem (CID 106132379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).