N-(2-chloroethyl)-1-phenyl-N-propan-2-ylcyclopropane-1-carboxamide

C15H20ClNO — CID 63393888

IUPACN-(2-chloroethyl)-1-phenyl-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)N(CCCl)C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C15H20ClNO/c1-12(2)17(11-10-16)14(18)15(8-9-15)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyDQBHIQBOEIUZLR-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.19
Rot. Bonds5

About N-(2-chloroethyl)-1-phenyl-N-propan-2-ylcyclopropane-1-carboxamide

N-(2-chloroethyl)-1-phenyl-N-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 63393888) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is N-(2-chloroethyl)-1-phenyl-N-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-1-phenyl-N-propan-2-ylcyclopropane-1-carboxamide
PubChem CID63393888
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC NameN-(2-chloroethyl)-1-phenyl-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)N(CCCl)C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C15H20ClNO/c1-12(2)17(11-10-16)14(18)15(8-9-15)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyDQBHIQBOEIUZLR-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
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 N-(2-chloroethyl)-1-phenyl-N-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-chloroethyl)-1-phenyl-N-propan-2-ylcyclopropane-1-carboxamide (CID 63393888) is N-(2-chloroethyl)-1-phenyl-N-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-1-phenyl-N-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-1-phenyl-N-propan-2-ylcyclopropane-1-carboxamide is CC(C)N(CCCl)C(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-(2-chloroethyl)-1-phenyl-N-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is DQBHIQBOEIUZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-12(2)17(11-10-16)14(18)15(8-9-15)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-1-phenyl-N-propan-2-ylcyclopropane-1-carboxamide?
N-(2-chloroethyl)-1-phenyl-N-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 265.78 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-1-phenyl-N-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 63393888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).