4-chloro-N-[(3-hydroxycyclohexyl)methyl]butanamide

C11H20ClNO2 — CID 106128030

IUPAC4-chloro-N-[(3-hydroxycyclohexyl)methyl]butanamide
SMILESO=C(CCCCl)NCC1CCCC(O)C1
InChIInChI=1S/C11H20ClNO2/c12-6-2-5-11(15)13-8-9-3-1-4-10(14)7-9/h9-10,14H,1-8H2,(H,13,15)
InChIKeyQZPGDRIRHVQZAM-UHFFFAOYSA-N
MW233.74 g/mol
LogP1.67
Rot. Bonds5

About 4-chloro-N-[(3-hydroxycyclohexyl)methyl]butanamide

4-chloro-N-[(3-hydroxycyclohexyl)methyl]butanamide (PubChem CID 106128030) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is 4-chloro-N-[(3-hydroxycyclohexyl)methyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[(3-hydroxycyclohexyl)methyl]butanamide
PubChem CID106128030
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Name4-chloro-N-[(3-hydroxycyclohexyl)methyl]butanamide
SMILESO=C(CCCCl)NCC1CCCC(O)C1
InChIInChI=1S/C11H20ClNO2/c12-6-2-5-11(15)13-8-9-3-1-4-10(14)7-9/h9-10,14H,1-8H2,(H,13,15)
InChIKeyQZPGDRIRHVQZAM-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-[(3-hydroxycyclopentyl)methyl]pentanamide
CID 106127901
5-hydroxy-N-[(3-hydroxycyclohexyl)methyl]pentanamide
CID 106137719
3-chloro-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 106127897
5-chloro-N-[(3-hydroxycyclobutyl)methyl]pentanamide
CID 66006731
4-ethoxy-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 103690736
N-[4-[(3-hydroxycyclohexyl)methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 111459727
N-[(3-hydroxycyclohexyl)methyl]hept-6-ynamide
CID 103908789
N-[(3-hydroxycyclohexyl)methyl]-4-oxopentanamide
CID 106135913
5-amino-N-[(3-hydroxycyclohexyl)methyl]hexanamide
CID 114148164
3-ethylsulfanyl-N-[(3-hydroxycyclohexyl)methyl]propanamide
CID 111460060
N-[(3-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide
CID 114148146
6-amino-N-[(3-hydroxycyclohexyl)methyl]-4,4-dimethylhexanamide
CID 106135278

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-hydroxycyclohexyl)methyl]butanamide?
The IUPAC name of 4-chloro-N-[(3-hydroxycyclohexyl)methyl]butanamide (CID 106128030) is 4-chloro-N-[(3-hydroxycyclohexyl)methyl]butanamide.
What is the SMILES notation for 4-chloro-N-[(3-hydroxycyclohexyl)methyl]butanamide?
The canonical SMILES for 4-chloro-N-[(3-hydroxycyclohexyl)methyl]butanamide is O=C(CCCCl)NCC1CCCC(O)C1.
What is the InChIKey of 4-chloro-N-[(3-hydroxycyclohexyl)methyl]butanamide?
The InChIKey is QZPGDRIRHVQZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2/c12-6-2-5-11(15)13-8-9-3-1-4-10(14)7-9/h9-10,14H,1-8H2,(H,13,15).
What are the key properties of 4-chloro-N-[(3-hydroxycyclohexyl)methyl]butanamide?
4-chloro-N-[(3-hydroxycyclohexyl)methyl]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-[(3-hydroxycyclohexyl)methyl]butanamide is sourced from PubChem (CID 106128030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).