2-chloro-N-cyclopropyl-N-ethylpropanamide

C8H14ClNO — CID 43264110

IUPAC2-chloro-N-cyclopropyl-N-ethylpropanamide
SMILESCCN(C(=O)C(C)Cl)C1CC1
InChIInChI=1S/C8H14ClNO/c1-3-10(7-4-5-7)8(11)6(2)9/h6-7H,3-5H2,1-2H3
InChIKeyDPEDUKBIPAHHMY-UHFFFAOYSA-N
MW175.66 g/mol
LogP1.62
Rot. Bonds3

About 2-chloro-N-cyclopropyl-N-ethylpropanamide

2-chloro-N-cyclopropyl-N-ethylpropanamide (PubChem CID 43264110) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-ethylpropanamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-ethylpropanamide
PubChem CID43264110
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name2-chloro-N-cyclopropyl-N-ethylpropanamide
SMILESCCN(C(=O)C(C)Cl)C1CC1
InChIInChI=1S/C8H14ClNO/c1-3-10(7-4-5-7)8(11)6(2)9/h6-7H,3-5H2,1-2H3
InChIKeyDPEDUKBIPAHHMY-UHFFFAOYSA-N
XLogP1.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.62
H-Bond Donors ≤ 50
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 2-chloro-N-cyclopropyl-N-ethylpropanamide?
The IUPAC name of 2-chloro-N-cyclopropyl-N-ethylpropanamide (CID 43264110) is 2-chloro-N-cyclopropyl-N-ethylpropanamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-ethylpropanamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-ethylpropanamide is CCN(C(=O)C(C)Cl)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-ethylpropanamide?
The InChIKey is DPEDUKBIPAHHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO/c1-3-10(7-4-5-7)8(11)6(2)9/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-chloro-N-cyclopropyl-N-ethylpropanamide?
2-chloro-N-cyclopropyl-N-ethylpropanamide has a molecular weight of 175.66 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-N-ethylpropanamide is sourced from PubChem (CID 43264110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).