5-chloro-N-[(2S)-2-hydroxypropyl]pentanamide

C8H16ClNO2 — CID 107216739

IUPAC5-chloro-N-[(2S)-2-hydroxypropyl]pentanamide
SMILESC[C@H](O)CNC(=O)CCCCCl
InChIInChI=1S/C8H16ClNO2/c1-7(11)6-10-8(12)4-2-3-5-9/h7,11H,2-6H2,1H3,(H,10,12)/t7-/m0/s1
InChIKeyBRBWJULJBNKLBS-ZETCQYMHSA-N
MW193.67 g/mol
LogP0.89
Rot. Bonds6

About 5-chloro-N-[(2S)-2-hydroxypropyl]pentanamide

5-chloro-N-[(2S)-2-hydroxypropyl]pentanamide (PubChem CID 107216739) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-2-hydroxypropyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[(2S)-2-hydroxypropyl]pentanamide
PubChem CID107216739
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name5-chloro-N-[(2S)-2-hydroxypropyl]pentanamide
SMILESC[C@H](O)CNC(=O)CCCCCl
InChIInChI=1S/C8H16ClNO2/c1-7(11)6-10-8(12)4-2-3-5-9/h7,11H,2-6H2,1H3,(H,10,12)/t7-/m0/s1
InChIKeyBRBWJULJBNKLBS-ZETCQYMHSA-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

3-chloro-N-(2-hydroxypropyl)propanamide
CID 59011978
N-(2-hydroxypropyl)nonadecanamide
CID 102118860
N,N'-bis(2-hydroxypropyl)octadec-9-enediamide
CID 76514668
5-chloro-N-(2,3-dihydroxypropyl)pentanamide
CID 66168263
4-chloro-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102904773
N-[(2S)-2-hydroxypropyl]-4-methylpentanamide
CID 83030953
N-(2-hydroxypropyl)dodecanamide;phosphoric acid
CID 175492996
4-chloro-N-(2,3,3-trimethylbutyl)butanamide
CID 83142123
N'-hydroxy-N-(2-hydroxypropyl)butanediamide
CID 86244799
N-[(2R)-2-hydroxypropyl]pent-4-enamide
CID 83031292
5-chloro-N-(5-methylhexyl)pentanamide
CID 115325090
4-(4-chlorophenoxy)-N-(2-hydroxypropyl)butanamide
CID 110487099

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-2-hydroxypropyl]pentanamide?
The IUPAC name of 5-chloro-N-[(2S)-2-hydroxypropyl]pentanamide (CID 107216739) is 5-chloro-N-[(2S)-2-hydroxypropyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[(2S)-2-hydroxypropyl]pentanamide?
The canonical SMILES for 5-chloro-N-[(2S)-2-hydroxypropyl]pentanamide is C[C@H](O)CNC(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-[(2S)-2-hydroxypropyl]pentanamide?
The InChIKey is BRBWJULJBNKLBS-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16ClNO2/c1-7(11)6-10-8(12)4-2-3-5-9/h7,11H,2-6H2,1H3,(H,10,12)/t7-/m0/s1.
What are the key properties of 5-chloro-N-[(2S)-2-hydroxypropyl]pentanamide?
5-chloro-N-[(2S)-2-hydroxypropyl]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-[(2S)-2-hydroxypropyl]pentanamide is sourced from PubChem (CID 107216739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).