4-chloro-N-[2-(hydroxymethyl)cyclohexyl]butanamide

C11H20ClNO2 — CID 106359885

IUPAC4-chloro-N-[2-(hydroxymethyl)cyclohexyl]butanamide
SMILESO=C(CCCCl)NC1CCCCC1CO
InChIInChI=1S/C11H20ClNO2/c12-7-3-6-11(15)13-10-5-2-1-4-9(10)8-14/h9-10,14H,1-8H2,(H,13,15)
InChIKeyZWNSRUVPGMCUIQ-UHFFFAOYSA-N
MW233.74 g/mol
LogP1.67
Rot. Bonds5

About 4-chloro-N-[2-(hydroxymethyl)cyclohexyl]butanamide

4-chloro-N-[2-(hydroxymethyl)cyclohexyl]butanamide (PubChem CID 106359885) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is 4-chloro-N-[2-(hydroxymethyl)cyclohexyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[2-(hydroxymethyl)cyclohexyl]butanamide
PubChem CID106359885
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Name4-chloro-N-[2-(hydroxymethyl)cyclohexyl]butanamide
SMILESO=C(CCCCl)NC1CCCCC1CO
InChIInChI=1S/C11H20ClNO2/c12-7-3-6-11(15)13-10-5-2-1-4-9(10)8-14/h9-10,14H,1-8H2,(H,13,15)
InChIKeyZWNSRUVPGMCUIQ-UHFFFAOYSA-N
XLogP1.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[2-(hydroxymethyl)cyclohexyl]pentanamide
CID 106359880
5-chloro-N-[2-(hydroxymethyl)cyclopentyl]pentanamide
CID 106359865
4-cyclohexyl-N-[2-(hydroxymethyl)cyclohexyl]butanamide
CID 103798365
4-[[2-(hydroxymethyl)cyclohexyl]amino]-4-oxobutanoic acid
CID 106359284
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide
CID 107216783
N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]pent-4-enamide
CID 89374191
N-[2-(hydroxymethyl)cyclopentyl]nonanamide
CID 103774038
5-amino-N-[2-(hydroxymethyl)cyclohexyl]hexanamide
CID 106361473
N-[2-(hydroxymethyl)cyclopentyl]-3-sulfanylpropanamide
CID 106367884
N-[2-(hydroxymethyl)cyclohexyl]-3-piperidin-4-ylpropanamide
CID 106361419
3-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]propanamide
CID 103798579
[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 141194189

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(hydroxymethyl)cyclohexyl]butanamide?
The IUPAC name of 4-chloro-N-[2-(hydroxymethyl)cyclohexyl]butanamide (CID 106359885) is 4-chloro-N-[2-(hydroxymethyl)cyclohexyl]butanamide.
What is the SMILES notation for 4-chloro-N-[2-(hydroxymethyl)cyclohexyl]butanamide?
The canonical SMILES for 4-chloro-N-[2-(hydroxymethyl)cyclohexyl]butanamide is O=C(CCCCl)NC1CCCCC1CO.
What is the InChIKey of 4-chloro-N-[2-(hydroxymethyl)cyclohexyl]butanamide?
The InChIKey is ZWNSRUVPGMCUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2/c12-7-3-6-11(15)13-10-5-2-1-4-9(10)8-14/h9-10,14H,1-8H2,(H,13,15).
What are the key properties of 4-chloro-N-[2-(hydroxymethyl)cyclohexyl]butanamide?
4-chloro-N-[2-(hydroxymethyl)cyclohexyl]butanamide has a molecular weight of 233.74 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(hydroxymethyl)cyclohexyl]butanamide is sourced from PubChem (CID 106359885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).