5-chloro-N-(4-hydroxybutan-2-yl)pentanamide

C9H18ClNO2 — CID 83177024

IUPAC5-chloro-N-(4-hydroxybutan-2-yl)pentanamide
SMILESCC(CCO)NC(=O)CCCCCl
InChIInChI=1S/C9H18ClNO2/c1-8(5-7-12)11-9(13)4-2-3-6-10/h8,12H,2-7H2,1H3,(H,11,13)
InChIKeyITMLFULUHYGTBO-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.28
Rot. Bonds7

About 5-chloro-N-(4-hydroxybutan-2-yl)pentanamide

5-chloro-N-(4-hydroxybutan-2-yl)pentanamide (PubChem CID 83177024) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 5-chloro-N-(4-hydroxybutan-2-yl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(4-hydroxybutan-2-yl)pentanamide
PubChem CID83177024
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name5-chloro-N-(4-hydroxybutan-2-yl)pentanamide
SMILESCC(CCO)NC(=O)CCCCCl
InChIInChI=1S/C9H18ClNO2/c1-8(5-7-12)11-9(13)4-2-3-6-10/h8,12H,2-7H2,1H3,(H,11,13)
InChIKeyITMLFULUHYGTBO-UHFFFAOYSA-N
XLogP1.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.28
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-(1-hydroxypropan-2-yl)pentanamide
CID 61251203
5-chloro-N-heptan-2-ylpentanamide
CID 43578895
5-amino-N-(4-hydroxybutan-2-yl)pentanamide
CID 83177679
2-chloro-N-[(2S)-4-hydroxybutan-2-yl]acetamide
CID 155389000
5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pentanamide
CID 61473760
5-chloro-N-(1,3-dihydroxypropan-2-yl)pentanamide
CID 65312302
5-chloro-N-(3,3-dimethylbutan-2-yl)pentanamide
CID 115749589
4-ethoxy-N-(4-hydroxybutan-2-yl)butanamide
CID 81048367
(2S)-2-(4-chlorobutanoylamino)propanoic acid
CID 18600219
4,4,4-trifluoro-N-(4-hydroxybutan-2-yl)butanamide
CID 115283442
N-pentan-2-ylundecanamide
CID 173258559
N-(1-hydroxypropan-2-yl)-18-methylnonadecanamide
CID 18431763

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-hydroxybutan-2-yl)pentanamide?
The IUPAC name of 5-chloro-N-(4-hydroxybutan-2-yl)pentanamide (CID 83177024) is 5-chloro-N-(4-hydroxybutan-2-yl)pentanamide.
What is the SMILES notation for 5-chloro-N-(4-hydroxybutan-2-yl)pentanamide?
The canonical SMILES for 5-chloro-N-(4-hydroxybutan-2-yl)pentanamide is CC(CCO)NC(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-(4-hydroxybutan-2-yl)pentanamide?
The InChIKey is ITMLFULUHYGTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2/c1-8(5-7-12)11-9(13)4-2-3-6-10/h8,12H,2-7H2,1H3,(H,11,13).
What are the key properties of 5-chloro-N-(4-hydroxybutan-2-yl)pentanamide?
5-chloro-N-(4-hydroxybutan-2-yl)pentanamide has a molecular weight of 207.70 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-hydroxybutan-2-yl)pentanamide is sourced from PubChem (CID 83177024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).