3-chloro-N-(2-hydroxypropyl)propanamide

C6H12ClNO2 — CID 59011978

IUPAC3-chloro-N-(2-hydroxypropyl)propanamide
SMILESCC(O)CNC(=O)CCCl
InChIInChI=1S/C6H12ClNO2/c1-5(9)4-8-6(10)2-3-7/h5,9H,2-4H2,1H3,(H,8,10)
InChIKeyCSROAFMJACAHOA-UHFFFAOYSA-N
MW165.62 g/mol
LogP0.11
Rot. Bonds4

About 3-chloro-N-(2-hydroxypropyl)propanamide

3-chloro-N-(2-hydroxypropyl)propanamide (PubChem CID 59011978) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxypropyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxypropyl)propanamide
PubChem CID59011978
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Name3-chloro-N-(2-hydroxypropyl)propanamide
SMILESCC(O)CNC(=O)CCCl
InChIInChI=1S/C6H12ClNO2/c1-5(9)4-8-6(10)2-3-7/h5,9H,2-4H2,1H3,(H,8,10)
InChIKeyCSROAFMJACAHOA-UHFFFAOYSA-N
XLogP0.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[(2S)-2-hydroxypropyl]pentanamide
CID 107216739
N-[(2S)-2-hydroxypropyl]-4-methylpentanamide
CID 83030953
N'-hydroxy-N-(2-hydroxypropyl)butanediamide
CID 86244799
N-[(2R)-2-hydroxypropyl]pent-4-enamide
CID 83031292
N-(2-hydroxypropyl)nonadecanamide
CID 102118860
N-[(2S)-2-hydroxypropyl]-3-oxobutanamide
CID 107856858
2-bromo-N-(2-hydroxypropyl)acetamide
CID 63679537
N,N'-bis(2-hydroxypropyl)octadec-9-enediamide
CID 76514668
3-ethoxy-N-(2-hydroxypropyl)propanamide
CID 62589549
N-(2-chloropropyl)butanamide
CID 57294659
N-[(2R)-2-hydroxypropyl]-3-propoxypropanamide
CID 83060047
4-chloro-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102904773

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxypropyl)propanamide?
The IUPAC name of 3-chloro-N-(2-hydroxypropyl)propanamide (CID 59011978) is 3-chloro-N-(2-hydroxypropyl)propanamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxypropyl)propanamide?
The canonical SMILES for 3-chloro-N-(2-hydroxypropyl)propanamide is CC(O)CNC(=O)CCCl.
What is the InChIKey of 3-chloro-N-(2-hydroxypropyl)propanamide?
The InChIKey is CSROAFMJACAHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO2/c1-5(9)4-8-6(10)2-3-7/h5,9H,2-4H2,1H3,(H,8,10).
What are the key properties of 3-chloro-N-(2-hydroxypropyl)propanamide?
3-chloro-N-(2-hydroxypropyl)propanamide has a molecular weight of 165.62 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-hydroxypropyl)propanamide is sourced from PubChem (CID 59011978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).