N-(4-chlorophenyl)bicyclo[4.1.0]heptane-7-carboxamide

C14H16ClNO — CID 579221

IUPACN-(4-chlorophenyl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1C2CCCCC21
InChIInChI=1S/C14H16ClNO/c15-9-5-7-10(8-6-9)16-14(17)13-11-3-1-2-4-12(11)13/h5-8,11-13H,1-4H2,(H,16,17)
InChIKeyRTUBZGXBNCXVSA-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.71
Rot. Bonds2

About N-(4-chlorophenyl)bicyclo[4.1.0]heptane-7-carboxamide

N-(4-chlorophenyl)bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 579221) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is N-(4-chlorophenyl)bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID579221
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC NameN-(4-chlorophenyl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1C2CCCCC21
InChIInChI=1S/C14H16ClNO/c15-9-5-7-10(8-6-9)16-14(17)13-11-3-1-2-4-12(11)13/h5-8,11-13H,1-4H2,(H,16,17)
InChIKeyRTUBZGXBNCXVSA-UHFFFAOYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-(4-chlorophenyl)bicyclo[4.1.0]heptane-7-carboxamide (CID 579221) is N-(4-chlorophenyl)bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)bicyclo[4.1.0]heptane-7-carboxamide is O=C(Nc1ccc(Cl)cc1)C1C2CCCCC21.
What is the InChIKey of N-(4-chlorophenyl)bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is RTUBZGXBNCXVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c15-9-5-7-10(8-6-9)16-14(17)13-11-3-1-2-4-12(11)13/h5-8,11-13H,1-4H2,(H,16,17).
What are the key properties of N-(4-chlorophenyl)bicyclo[4.1.0]heptane-7-carboxamide?
N-(4-chlorophenyl)bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 249.74 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 579221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).