2-(chloromethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide

C15H20ClNO — CID 19818000

IUPAC2-(chloromethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)C1(c2ccccc2)CC1CCl
InChIInChI=1S/C15H20ClNO/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
InChIKeyPFFIHIRGBGNQMV-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.05
Rot. Bonds5

About 2-(chloromethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide

2-(chloromethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide (PubChem CID 19818000) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 2-(chloromethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(chloromethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
PubChem CID19818000
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name2-(chloromethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)C1(c2ccccc2)CC1CCl
InChIInChI=1S/C15H20ClNO/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
InChIKeyPFFIHIRGBGNQMV-UHFFFAOYSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.05
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-(chloromethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of 2-(chloromethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide (CID 19818000) is 2-(chloromethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-(chloromethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 2-(chloromethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide is CCN(CC)C(=O)C1(c2ccccc2)CC1CCl.
What is the InChIKey of 2-(chloromethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide?
The InChIKey is PFFIHIRGBGNQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3.
What are the key properties of 2-(chloromethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide?
2-(chloromethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide has a molecular weight of 265.78 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 19818000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).