2-(4-chlorophenyl)-N-cycloheptylacetamide

C15H20ClNO — CID 875700

IUPAC2-(4-chlorophenyl)-N-cycloheptylacetamide
SMILESO=C(Cc1ccc(Cl)cc1)NC1CCCCCC1
InChIInChI=1S/C15H20ClNO/c16-13-9-7-12(8-10-13)11-15(18)17-14-5-3-1-2-4-6-14/h7-10,14H,1-6,11H2,(H,17,18)
InChIKeyIWPUKSUJFMMOBD-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.72
Rot. Bonds3

About 2-(4-chlorophenyl)-N-cycloheptylacetamide

2-(4-chlorophenyl)-N-cycloheptylacetamide (PubChem CID 875700) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-cycloheptylacetamide
PubChem CID875700
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name2-(4-chlorophenyl)-N-cycloheptylacetamide
SMILESO=C(Cc1ccc(Cl)cc1)NC1CCCCCC1
InChIInChI=1S/C15H20ClNO/c16-13-9-7-12(8-10-13)11-15(18)17-14-5-3-1-2-4-6-14/h7-10,14H,1-6,11H2,(H,17,18)
InChIKeyIWPUKSUJFMMOBD-UHFFFAOYSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-cycloheptylacetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-cycloheptylacetamide (CID 875700) is 2-(4-chlorophenyl)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-cycloheptylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-cycloheptylacetamide is O=C(Cc1ccc(Cl)cc1)NC1CCCCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-cycloheptylacetamide?
The InChIKey is IWPUKSUJFMMOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c16-13-9-7-12(8-10-13)11-15(18)17-14-5-3-1-2-4-6-14/h7-10,14H,1-6,11H2,(H,17,18).
What are the key properties of 2-(4-chlorophenyl)-N-cycloheptylacetamide?
2-(4-chlorophenyl)-N-cycloheptylacetamide has a molecular weight of 265.78 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-cycloheptylacetamide is sourced from PubChem (CID 875700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).