5-chloro-N-[2-(hydroxymethyl)cyclohexyl]pentanamide

C12H22ClNO2 — CID 106359880

IUPAC5-chloro-N-[2-(hydroxymethyl)cyclohexyl]pentanamide
SMILESO=C(CCCCCl)NC1CCCCC1CO
InChIInChI=1S/C12H22ClNO2/c13-8-4-3-7-12(16)14-11-6-2-1-5-10(11)9-15/h10-11,15H,1-9H2,(H,14,16)
InChIKeyPPPUYCCAZQWWAD-UHFFFAOYSA-N
MW247.77 g/mol
LogP2.06
Rot. Bonds6

About 5-chloro-N-[2-(hydroxymethyl)cyclohexyl]pentanamide

5-chloro-N-[2-(hydroxymethyl)cyclohexyl]pentanamide (PubChem CID 106359880) has the molecular formula C12H22ClNO2 and a molecular weight of 247.77 g/mol. Its IUPAC name is 5-chloro-N-[2-(hydroxymethyl)cyclohexyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[2-(hydroxymethyl)cyclohexyl]pentanamide
PubChem CID106359880
Molecular FormulaC12H22ClNO2
Molecular Weight247.77 g/mol
Exact Mass247.13
IUPAC Name5-chloro-N-[2-(hydroxymethyl)cyclohexyl]pentanamide
SMILESO=C(CCCCCl)NC1CCCCC1CO
InChIInChI=1S/C12H22ClNO2/c13-8-4-3-7-12(16)14-11-6-2-1-5-10(11)9-15/h10-11,15H,1-9H2,(H,14,16)
InChIKeyPPPUYCCAZQWWAD-UHFFFAOYSA-N
XLogP2.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[2-(hydroxymethyl)cyclopentyl]pentanamide
CID 106359865
4-chloro-N-[2-(hydroxymethyl)cyclohexyl]butanamide
CID 106359885
4-cyclohexyl-N-[2-(hydroxymethyl)cyclohexyl]butanamide
CID 103798365
N-[2-(hydroxymethyl)cyclopentyl]nonanamide
CID 103774038
4-[[2-(hydroxymethyl)cyclohexyl]amino]-4-oxobutanoic acid
CID 106359284
N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]pent-4-enamide
CID 89374191
5-amino-N-[2-(hydroxymethyl)cyclohexyl]hexanamide
CID 106361473
5-chloro-N-cyclooctylpentanamide
CID 28733608
N-[2-(hydroxymethyl)cyclopentyl]-3-sulfanylpropanamide
CID 106367884
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide
CID 107216783
N-[2-(chloromethyl)cyclopentyl]nonanamide
CID 114179441
3-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]propanamide
CID 103798579

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(hydroxymethyl)cyclohexyl]pentanamide?
The IUPAC name of 5-chloro-N-[2-(hydroxymethyl)cyclohexyl]pentanamide (CID 106359880) is 5-chloro-N-[2-(hydroxymethyl)cyclohexyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[2-(hydroxymethyl)cyclohexyl]pentanamide?
The canonical SMILES for 5-chloro-N-[2-(hydroxymethyl)cyclohexyl]pentanamide is O=C(CCCCCl)NC1CCCCC1CO.
What is the InChIKey of 5-chloro-N-[2-(hydroxymethyl)cyclohexyl]pentanamide?
The InChIKey is PPPUYCCAZQWWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO2/c13-8-4-3-7-12(16)14-11-6-2-1-5-10(11)9-15/h10-11,15H,1-9H2,(H,14,16).
What are the key properties of 5-chloro-N-[2-(hydroxymethyl)cyclohexyl]pentanamide?
5-chloro-N-[2-(hydroxymethyl)cyclohexyl]pentanamide has a molecular weight of 247.77 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(hydroxymethyl)cyclohexyl]pentanamide is sourced from PubChem (CID 106359880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).