5-chloro-N-(1-hydroxypropan-2-yl)pentanamide

C8H16ClNO2 — CID 61251203

IUPAC5-chloro-N-(1-hydroxypropan-2-yl)pentanamide
SMILESCC(CO)NC(=O)CCCCCl
InChIInChI=1S/C8H16ClNO2/c1-7(6-11)10-8(12)4-2-3-5-9/h7,11H,2-6H2,1H3,(H,10,12)
InChIKeyVUCXAFAHHIRYPZ-UHFFFAOYSA-N
MW193.67 g/mol
LogP0.89
Rot. Bonds6

About 5-chloro-N-(1-hydroxypropan-2-yl)pentanamide

5-chloro-N-(1-hydroxypropan-2-yl)pentanamide (PubChem CID 61251203) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is 5-chloro-N-(1-hydroxypropan-2-yl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(1-hydroxypropan-2-yl)pentanamide
PubChem CID61251203
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name5-chloro-N-(1-hydroxypropan-2-yl)pentanamide
SMILESCC(CO)NC(=O)CCCCCl
InChIInChI=1S/C8H16ClNO2/c1-7(6-11)10-8(12)4-2-3-5-9/h7,11H,2-6H2,1H3,(H,10,12)
InChIKeyVUCXAFAHHIRYPZ-UHFFFAOYSA-N
XLogP0.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 50.89
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-(4-hydroxybutan-2-yl)pentanamide
CID 83177024
N-(1-hydroxypropan-2-yl)heptanamide
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5-chloro-N-heptan-2-ylpentanamide
CID 43578895
5-chloro-N-(1,3-dihydroxypropan-2-yl)pentanamide
CID 65312302
N-(1-hydroxypropan-2-yl)-18-methylnonadecanamide
CID 18431763
2-chloro-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 55298424
5-chloro-N-(3,3-dimethylbutan-2-yl)pentanamide
CID 115749589
5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pentanamide
CID 61473760
(2S)-2-(4-chlorobutanoylamino)propanoic acid
CID 18600219
(E)-N-[(2S)-1-hydroxypropan-2-yl]octadec-9-enamide
CID 66509136
(Z)-N-[(2R)-1-hydroxypropan-2-yl]docos-13-enamide
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N-(1-hydroxypropan-2-yl)tetracos-15-enamide
CID 173265118

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-hydroxypropan-2-yl)pentanamide?
The IUPAC name of 5-chloro-N-(1-hydroxypropan-2-yl)pentanamide (CID 61251203) is 5-chloro-N-(1-hydroxypropan-2-yl)pentanamide.
What is the SMILES notation for 5-chloro-N-(1-hydroxypropan-2-yl)pentanamide?
The canonical SMILES for 5-chloro-N-(1-hydroxypropan-2-yl)pentanamide is CC(CO)NC(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-(1-hydroxypropan-2-yl)pentanamide?
The InChIKey is VUCXAFAHHIRYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO2/c1-7(6-11)10-8(12)4-2-3-5-9/h7,11H,2-6H2,1H3,(H,10,12).
What are the key properties of 5-chloro-N-(1-hydroxypropan-2-yl)pentanamide?
5-chloro-N-(1-hydroxypropan-2-yl)pentanamide has a molecular weight of 193.67 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-hydroxypropan-2-yl)pentanamide is sourced from PubChem (CID 61251203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).