6-chloro-N-methoxyhexanamide

C7H14ClNO2 — CID 90073847

IUPAC6-chloro-N-methoxyhexanamide
SMILESCONC(=O)CCCCCCl
InChIInChI=1S/C7H14ClNO2/c1-11-9-7(10)5-3-2-4-6-8/h2-6H2,1H3,(H,9,10)
InChIKeyGNVOMQQTFGUVIG-UHFFFAOYSA-N
MW179.65 g/mol
LogP1.46
Rot. Bonds6

About 6-chloro-N-methoxyhexanamide

6-chloro-N-methoxyhexanamide (PubChem CID 90073847) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 6-chloro-N-methoxyhexanamide.

Molecular Properties

Compound Name6-chloro-N-methoxyhexanamide
PubChem CID90073847
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name6-chloro-N-methoxyhexanamide
SMILESCONC(=O)CCCCCCl
InChIInChI=1S/C7H14ClNO2/c1-11-9-7(10)5-3-2-4-6-8/h2-6H2,1H3,(H,9,10)
InChIKeyGNVOMQQTFGUVIG-UHFFFAOYSA-N
XLogP1.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-9-oxononanamide
CID 144851599
N-methoxy-7-methyloctanamide
CID 174552254
methyl 7-chloroheptanoate
CID 529989
5-(methoxyamino)-5-oxopentanoic acid
CID 64974146
4-iodo-N-methoxybutanamide
CID 141466825
33-chloro-N-hydroxytritriacontanamide
CID 87686869
30-chloro-N-hydroxytriacontanamide
CID 87686920
14-chloro-N-hydroxytetradecanamide
CID 87682446
N-methoxy-5-oxopentanamide
CID 91086399
5-[[4,6-bis[5-(methoxyamino)-5-oxopentoxy]-1,3,5-triazin-2-yl]oxy]-N-methoxypentanamide
CID 90074306
N-methoxy-4-oxobutanamide
CID 126994320
[4-(methoxyamino)-4-oxobutyl]phosphonic acid
CID 71458600

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methoxyhexanamide?
The IUPAC name of 6-chloro-N-methoxyhexanamide (CID 90073847) is 6-chloro-N-methoxyhexanamide.
What is the SMILES notation for 6-chloro-N-methoxyhexanamide?
The canonical SMILES for 6-chloro-N-methoxyhexanamide is CONC(=O)CCCCCCl.
What is the InChIKey of 6-chloro-N-methoxyhexanamide?
The InChIKey is GNVOMQQTFGUVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO2/c1-11-9-7(10)5-3-2-4-6-8/h2-6H2,1H3,(H,9,10).
What are the key properties of 6-chloro-N-methoxyhexanamide?
6-chloro-N-methoxyhexanamide has a molecular weight of 179.65 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methoxyhexanamide is sourced from PubChem (CID 90073847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).