3-chloro-N-ethylpropanamide

C5H10ClNO — CID 3519145

IUPAC3-chloro-N-ethylpropanamide
SMILESCCNC(=O)CCCl
InChIInChI=1S/C5H10ClNO/c1-2-7-5(8)3-4-6/h2-4H2,1H3,(H,7,8)
InChIKeyHGHIRFMAVFBVDI-UHFFFAOYSA-N
MW135.59 g/mol
LogP0.75
Rot. Bonds3

About 3-chloro-N-ethylpropanamide

3-chloro-N-ethylpropanamide (PubChem CID 3519145) has the molecular formula C5H10ClNO and a molecular weight of 135.59 g/mol. Its IUPAC name is 3-chloro-N-ethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-ethylpropanamide
PubChem CID3519145
Molecular FormulaC5H10ClNO
Molecular Weight135.59 g/mol
Exact Mass135.05
IUPAC Name3-chloro-N-ethylpropanamide
SMILESCCNC(=O)CCCl
InChIInChI=1S/C5H10ClNO/c1-2-7-5(8)3-4-6/h2-4H2,1H3,(H,7,8)
InChIKeyHGHIRFMAVFBVDI-UHFFFAOYSA-N
XLogP0.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.59
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethylpropanamide?
The IUPAC name of 3-chloro-N-ethylpropanamide (CID 3519145) is 3-chloro-N-ethylpropanamide.
What is the SMILES notation for 3-chloro-N-ethylpropanamide?
The canonical SMILES for 3-chloro-N-ethylpropanamide is CCNC(=O)CCCl.
What is the InChIKey of 3-chloro-N-ethylpropanamide?
The InChIKey is HGHIRFMAVFBVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO/c1-2-7-5(8)3-4-6/h2-4H2,1H3,(H,7,8).
What are the key properties of 3-chloro-N-ethylpropanamide?
3-chloro-N-ethylpropanamide has a molecular weight of 135.59 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethylpropanamide is sourced from PubChem (CID 3519145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).