N-(4-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide

C16H21NO — CID 3754963

IUPACN-(4-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCc1ccc(NC(=O)C2CC3CCC2C3)cc1
InChIInChI=1S/C16H21NO/c1-2-11-4-7-14(8-5-11)17-16(18)15-10-12-3-6-13(15)9-12/h4-5,7-8,12-13,15H,2-3,6,9-10H2,1H3,(H,17,18)
InChIKeyLCLDCNNUBMODCT-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.62
Rot. Bonds3

About N-(4-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(4-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 3754963) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(4-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID3754963
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-(4-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCc1ccc(NC(=O)C2CC3CCC2C3)cc1
InChIInChI=1S/C16H21NO/c1-2-11-4-7-14(8-5-11)17-16(18)15-10-12-3-6-13(15)9-12/h4-5,7-8,12-13,15H,2-3,6,9-10H2,1H3,(H,17,18)
InChIKeyLCLDCNNUBMODCT-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 3754963) is N-(4-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is CCc1ccc(NC(=O)C2CC3CCC2C3)cc1.
What is the InChIKey of N-(4-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is LCLDCNNUBMODCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-2-11-4-7-14(8-5-11)17-16(18)15-10-12-3-6-13(15)9-12/h4-5,7-8,12-13,15H,2-3,6,9-10H2,1H3,(H,17,18).
What are the key properties of N-(4-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(4-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 243.35 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 3754963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).