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

C7H14ClNO2 — CID 43131861

IUPAC2-chloro-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Cl
InChIInChI=1S/C7H14ClNO2/c1-6(8)7(10)9-4-3-5-11-2/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyATUJPTMHHGAKRU-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.77
Rot. Bonds5

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

2-chloro-N-(3-methoxypropyl)propanamide (PubChem CID 43131861) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 2-chloro-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(3-methoxypropyl)propanamide
PubChem CID43131861
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name2-chloro-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Cl
InChIInChI=1S/C7H14ClNO2/c1-6(8)7(10)9-4-3-5-11-2/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyATUJPTMHHGAKRU-UHFFFAOYSA-N
XLogP0.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.77
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-chloro-N-(3-methoxypropyl)propanamide (CID 43131861) is 2-chloro-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-chloro-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-chloro-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N-(3-methoxypropyl)propanamide?
The InChIKey is ATUJPTMHHGAKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO2/c1-6(8)7(10)9-4-3-5-11-2/h6H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 2-chloro-N-(3-methoxypropyl)propanamide?
2-chloro-N-(3-methoxypropyl)propanamide has a molecular weight of 179.65 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 43131861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).