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

C16H19NO — CID 42905929

IUPACN-(2,5-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2CC3C=CC2C3)c1
InChIInChI=1S/C16H19NO/c1-10-3-4-11(2)15(7-10)17-16(18)14-9-12-5-6-13(14)8-12/h3-7,12-14H,8-9H2,1-2H3,(H,17,18)
InChIKeyGERCBGCWUNTXAW-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.45
Rot. Bonds2

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

N-(2,5-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 42905929) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID42905929
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-(2,5-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2CC3C=CC2C3)c1
InChIInChI=1S/C16H19NO/c1-10-3-4-11(2)15(7-10)17-16(18)14-9-12-5-6-13(14)8-12/h3-7,12-14H,8-9H2,1-2H3,(H,17,18)
InChIKeyGERCBGCWUNTXAW-UHFFFAOYSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42906596
N-(2,3-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42906227
N-[2-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 71869091
1-N-(2,5-dimethylphenyl)-2-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109141591
(1R,2S,4S)-N-[2-methyl-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98369453
1-N-(2,5-dimethylphenyl)-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141010
(1R,2S,4S)-N-(4-acetamidophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98514685
(1R,2S,4S)-N-(2-chlorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 124568561
(1R,6R)-6-[(2,5-dimethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 690367
2-N-(4-chlorophenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141594
2-N-(2-bromophenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141632
N-(2-propan-2-ylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42909018

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 42905929) is N-(2,5-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is Cc1ccc(C)c(NC(=O)C2CC3C=CC2C3)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is GERCBGCWUNTXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-10-3-4-11(2)15(7-10)17-16(18)14-9-12-5-6-13(14)8-12/h3-7,12-14H,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-(2,5-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-(2,5-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 3.45, 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]hept-5-ene-2-carboxamide is sourced from PubChem (CID 42905929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).