2-chloro-N-(1-hydroxy-4-methoxyheptan-3-yl)acetamide

C10H20ClNO3 — CID 177333418

IUPAC2-chloro-N-(1-hydroxy-4-methoxyheptan-3-yl)acetamide
SMILESCCCC(OC)C(CCO)NC(=O)CCl
InChIInChI=1S/C10H20ClNO3/c1-3-4-9(15-2)8(5-6-13)12-10(14)7-11/h8-9,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyFNISKNJXPROORC-UHFFFAOYSA-N
MW237.73 g/mol
LogP0.91
Rot. Bonds8

About 2-chloro-N-(1-hydroxy-4-methoxyheptan-3-yl)acetamide

2-chloro-N-(1-hydroxy-4-methoxyheptan-3-yl)acetamide (PubChem CID 177333418) has the molecular formula C10H20ClNO3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-chloro-N-(1-hydroxy-4-methoxyheptan-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1-hydroxy-4-methoxyheptan-3-yl)acetamide
PubChem CID177333418
Molecular FormulaC10H20ClNO3
Molecular Weight237.73 g/mol
Exact Mass237.11
IUPAC Name2-chloro-N-(1-hydroxy-4-methoxyheptan-3-yl)acetamide
SMILESCCCC(OC)C(CCO)NC(=O)CCl
InChIInChI=1S/C10H20ClNO3/c1-3-4-9(15-2)8(5-6-13)12-10(14)7-11/h8-9,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyFNISKNJXPROORC-UHFFFAOYSA-N
XLogP0.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103881700
2-chloro-N-[(2S)-4-hydroxybutan-2-yl]acetamide
CID 155389000
ethyl 2-[(2-chloroacetyl)amino]pentanoate
CID 176548507
N-[(2S,3R)-1-hydroxy-3-methoxyhexadecan-2-yl]hexadecanamide
CID 139554578
2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79249423
3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 106349277
[(2S)-2-[(2-chloroacetyl)amino]-3-methylbutyl] 2-chloroacetate
CID 44889096
diethyl 2-[(2-chloroacetyl)amino]butanedioate
CID 78069321
methyl 2-[(2-chloroacetyl)amino]-3-hydroxypropanoate
CID 43311461
2-chloro-N-[1-[2-[(2-chloroacetyl)amino]propoxy]propan-2-yl]acetamide
CID 162712779
2-chloro-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 12032305
(3R)-4-methoxy-3-propylhexan-1-ol
CID 89361343

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-hydroxy-4-methoxyheptan-3-yl)acetamide?
The IUPAC name of 2-chloro-N-(1-hydroxy-4-methoxyheptan-3-yl)acetamide (CID 177333418) is 2-chloro-N-(1-hydroxy-4-methoxyheptan-3-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(1-hydroxy-4-methoxyheptan-3-yl)acetamide?
The canonical SMILES for 2-chloro-N-(1-hydroxy-4-methoxyheptan-3-yl)acetamide is CCCC(OC)C(CCO)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(1-hydroxy-4-methoxyheptan-3-yl)acetamide?
The InChIKey is FNISKNJXPROORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO3/c1-3-4-9(15-2)8(5-6-13)12-10(14)7-11/h8-9,13H,3-7H2,1-2H3,(H,12,14).
What are the key properties of 2-chloro-N-(1-hydroxy-4-methoxyheptan-3-yl)acetamide?
2-chloro-N-(1-hydroxy-4-methoxyheptan-3-yl)acetamide has a molecular weight of 237.73 g/mol, XLogP of 0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-hydroxy-4-methoxyheptan-3-yl)acetamide is sourced from PubChem (CID 177333418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).