N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide

C16H21NO — CID 2852993

IUPACN-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2CC3CCC2C3)c1
InChIInChI=1S/C16H21NO/c1-10-5-11(2)7-14(6-10)17-16(18)15-9-12-3-4-13(15)8-12/h5-7,12-13,15H,3-4,8-9H2,1-2H3,(H,17,18)
InChIKeyWIUIFGQEVWZRCG-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.68
Rot. Bonds2

About N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 2852993) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID2852993
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2CC3CCC2C3)c1
InChIInChI=1S/C16H21NO/c1-10-5-11(2)7-14(6-10)17-16(18)15-9-12-3-4-13(15)8-12/h5-7,12-13,15H,3-4,8-9H2,1-2H3,(H,17,18)
InChIKeyWIUIFGQEVWZRCG-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-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 2852993) is N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is Cc1cc(C)cc(NC(=O)C2CC3CCC2C3)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is WIUIFGQEVWZRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-10-5-11(2)7-14(6-10)17-16(18)15-9-12-3-4-13(15)8-12/h5-7,12-13,15H,3-4,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(3,5-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-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 2852993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).