N-(2,3-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide

C16H21NO — CID 3843095

IUPACN-(2,3-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cccc(NC(=O)C2CC3CCC2C3)c1C
InChIInChI=1S/C16H21NO/c1-10-4-3-5-15(11(10)2)17-16(18)14-9-12-6-7-13(14)8-12/h3-5,12-14H,6-9H2,1-2H3,(H,17,18)
InChIKeyURRLYZLQXGSQFG-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.68
Rot. Bonds2

About N-(2,3-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(2,3-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 3843095) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID3843095
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-(2,3-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cccc(NC(=O)C2CC3CCC2C3)c1C
InChIInChI=1S/C16H21NO/c1-10-4-3-5-15(11(10)2)17-16(18)14-9-12-6-7-13(14)8-12/h3-5,12-14H,6-9H2,1-2H3,(H,17,18)
InChIKeyURRLYZLQXGSQFG-UHFFFAOYSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 3843095) is N-(2,3-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is Cc1cccc(NC(=O)C2CC3CCC2C3)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is URRLYZLQXGSQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-10-4-3-5-15(11(10)2)17-16(18)14-9-12-6-7-13(14)8-12/h3-5,12-14H,6-9H2,1-2H3,(H,17,18).
What are the key properties of N-(2,3-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(2,3-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 243.35 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 3843095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).