5-chloro-N-(oxan-3-yl)pentanamide

C10H18ClNO2 — CID 63363269

IUPAC5-chloro-N-(oxan-3-yl)pentanamide
SMILESO=C(CCCCCl)NC1CCCOC1
InChIInChI=1S/C10H18ClNO2/c11-6-2-1-5-10(13)12-9-4-3-7-14-8-9/h9H,1-8H2,(H,12,13)
InChIKeyJTWNAVSTAUBXEI-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.69
Rot. Bonds5

About 5-chloro-N-(oxan-3-yl)pentanamide

5-chloro-N-(oxan-3-yl)pentanamide (PubChem CID 63363269) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is 5-chloro-N-(oxan-3-yl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(oxan-3-yl)pentanamide
PubChem CID63363269
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Name5-chloro-N-(oxan-3-yl)pentanamide
SMILESO=C(CCCCCl)NC1CCCOC1
InChIInChI=1S/C10H18ClNO2/c11-6-2-1-5-10(13)12-9-4-3-7-14-8-9/h9H,1-8H2,(H,12,13)
InChIKeyJTWNAVSTAUBXEI-UHFFFAOYSA-N
XLogP1.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.69
H-Bond Donors ≤ 51
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

4-chloro-N-(oxolan-3-yl)butanamide
CID 80717187
5-chloro-N-cyclooctylpentanamide
CID 28733608
3-chloro-N-(1,4-dioxepan-6-yl)propanamide
CID 130658722
3-ethylsulfonyl-N-(oxan-3-yl)propanamide
CID 176706473
4-chloro-N-cyclopropylbutanamide
CID 5152347
3-chloro-N-cycloheptylpropanamide
CID 5152151
oxan-3-ylcarbamic acid
CID 68631624
[(3S)-oxan-3-yl]carbamic acid
CID 141364908
N-(oxan-3-yl)acetamide
CID 55285282
6-amino-4,4-dimethyl-N-(oxan-3-yl)hexanamide
CID 65291525
4-(oxan-3-ylcarbamoylamino)butanoic acid
CID 63361595
5-chloro-N-(3,4-dimethylcyclohexyl)pentanamide
CID 64743274

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(oxan-3-yl)pentanamide?
The IUPAC name of 5-chloro-N-(oxan-3-yl)pentanamide (CID 63363269) is 5-chloro-N-(oxan-3-yl)pentanamide.
What is the SMILES notation for 5-chloro-N-(oxan-3-yl)pentanamide?
The canonical SMILES for 5-chloro-N-(oxan-3-yl)pentanamide is O=C(CCCCCl)NC1CCCOC1.
What is the InChIKey of 5-chloro-N-(oxan-3-yl)pentanamide?
The InChIKey is JTWNAVSTAUBXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2/c11-6-2-1-5-10(13)12-9-4-3-7-14-8-9/h9H,1-8H2,(H,12,13).
What are the key properties of 5-chloro-N-(oxan-3-yl)pentanamide?
5-chloro-N-(oxan-3-yl)pentanamide has a molecular weight of 219.71 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(oxan-3-yl)pentanamide is sourced from PubChem (CID 63363269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).