1-(4-chlorophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide

C18H24ClNO — CID 55468765

IUPAC1-(4-chlorophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1(c2ccc(Cl)cc2)CC1)C1CCCCCC1
InChIInChI=1S/C18H24ClNO/c1-20(16-6-4-2-3-5-7-16)17(21)18(12-13-18)14-8-10-15(19)11-9-14/h8-11,16H,2-7,12-13H2,1H3
InChIKeyJEHZFYNTNMYZMP-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.55
Rot. Bonds3

About 1-(4-chlorophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide (PubChem CID 55468765) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide
PubChem CID55468765
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC Name1-(4-chlorophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1(c2ccc(Cl)cc2)CC1)C1CCCCCC1
InChIInChI=1S/C18H24ClNO/c1-20(16-6-4-2-3-5-7-16)17(21)18(12-13-18)14-8-10-15(19)11-9-14/h8-11,16H,2-7,12-13H2,1H3
InChIKeyJEHZFYNTNMYZMP-UHFFFAOYSA-N
XLogP4.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide (CID 55468765) is 1-(4-chlorophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide is CN(C(=O)C1(c2ccc(Cl)cc2)CC1)C1CCCCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide?
The InChIKey is JEHZFYNTNMYZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO/c1-20(16-6-4-2-3-5-7-16)17(21)18(12-13-18)14-8-10-15(19)11-9-14/h8-11,16H,2-7,12-13H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide has a molecular weight of 305.85 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 55468765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).