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

C16H21NO — CID 2886682

IUPACN-(2,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2CC3CCC2C3)c1
InChIInChI=1S/C16H21NO/c1-10-3-4-11(2)15(7-10)17-16(18)14-9-12-5-6-13(14)8-12/h3-4,7,12-14H,5-6,8-9H2,1-2H3,(H,17,18)
InChIKeyVMNUJZBAOUTBFJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.68
Rot. Bonds2

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

N-(2,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 2886682) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID2886682
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-(2,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2CC3CCC2C3)c1
InChIInChI=1S/C16H21NO/c1-10-3-4-11(2)15(7-10)17-16(18)14-9-12-5-6-13(14)8-12/h3-4,7,12-14H,5-6,8-9H2,1-2H3,(H,17,18)
InChIKeyVMNUJZBAOUTBFJ-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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Related Compounds

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(2S,5R)-N-(4-(2-amino-2-oxoethyl)phenyl)-5-methyl-2-(propan-2-yl)cyclohexanecarboxamide
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2-cyclopentyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2673450
N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 25265518
N-Phenylbicyclo[2.2.1]heptane-2-carboxamide
CID 564627
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CID 897526
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CID 34209

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 2886682) is N-(2,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is Cc1ccc(C)c(NC(=O)C2CC3CCC2C3)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is VMNUJZBAOUTBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-10-3-4-11(2)15(7-10)17-16(18)14-9-12-5-6-13(14)8-12/h3-4,7,12-14H,5-6,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-(2,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(2,5-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-(2,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 2886682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).