N-[(4-chlorocyclohexyl)methyl]butanamide

C11H20ClNO — CID 106133703

IUPACN-[(4-chlorocyclohexyl)methyl]butanamide
SMILESCCCC(=O)NCC1CCC(Cl)CC1
InChIInChI=1S/C11H20ClNO/c1-2-3-11(14)13-8-9-4-6-10(12)7-5-9/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyYUKLRGJNXDLKDK-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.70
Rot. Bonds4

About N-[(4-chlorocyclohexyl)methyl]butanamide

N-[(4-chlorocyclohexyl)methyl]butanamide (PubChem CID 106133703) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is N-[(4-chlorocyclohexyl)methyl]butanamide.

Molecular Properties

Compound NameN-[(4-chlorocyclohexyl)methyl]butanamide
PubChem CID106133703
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC NameN-[(4-chlorocyclohexyl)methyl]butanamide
SMILESCCCC(=O)NCC1CCC(Cl)CC1
InChIInChI=1S/C11H20ClNO/c1-2-3-11(14)13-8-9-4-6-10(12)7-5-9/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyYUKLRGJNXDLKDK-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chlorocyclopentyl)methyl]butanamide
CID 106126960
N-[(4-chlorocyclohexyl)methyl]octanamide
CID 106133761
N-[(3-methylcyclopentyl)methyl]butanamide
CID 107415486
N-[(3-chlorocyclopentyl)methyl]pentanamide
CID 106127433
N-[(3-chlorocyclopentyl)methyl]decanamide
CID 106126403
N-[(4-chlorocyclohexyl)methyl]-3-methylbutanamide
CID 106133604
4-[(pentanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 21470545
N-[(4-aminocyclohexyl)methyl]pentanamide
CID 106124302
N-(thiolan-3-ylmethyl)butanamide
CID 107298413
N-[(4-chlorocyclohexyl)methyl]-2-(3-ethoxycyclobutyl)acetamide
CID 114147988
N-[(4-chlorocyclohexyl)methyl]-2-methylbutanamide
CID 106133616
N-[[(2R)-oxiran-2-yl]methyl]butanamide
CID 97180860

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorocyclohexyl)methyl]butanamide?
The IUPAC name of N-[(4-chlorocyclohexyl)methyl]butanamide (CID 106133703) is N-[(4-chlorocyclohexyl)methyl]butanamide.
What is the SMILES notation for N-[(4-chlorocyclohexyl)methyl]butanamide?
The canonical SMILES for N-[(4-chlorocyclohexyl)methyl]butanamide is CCCC(=O)NCC1CCC(Cl)CC1.
What is the InChIKey of N-[(4-chlorocyclohexyl)methyl]butanamide?
The InChIKey is YUKLRGJNXDLKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-2-3-11(14)13-8-9-4-6-10(12)7-5-9/h9-10H,2-8H2,1H3,(H,13,14).
What are the key properties of N-[(4-chlorocyclohexyl)methyl]butanamide?
N-[(4-chlorocyclohexyl)methyl]butanamide has a molecular weight of 217.74 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorocyclohexyl)methyl]butanamide is sourced from PubChem (CID 106133703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).