N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide

C17H23NO — CID 3092150

IUPACN-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)c1ccccc1)C2
InChIInChI=1S/C17H23NO/c1-16(2)13-9-10-17(16,3)14(11-13)18-15(19)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,18,19)
InChIKeyNTWLHHBGBISWLH-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.63
Rot. Bonds2

About N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide

N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide (PubChem CID 3092150) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide.

Molecular Properties

Compound NameN-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
PubChem CID3092150
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)c1ccccc1)C2
InChIInChI=1S/C17H23NO/c1-16(2)13-9-10-17(16,3)14(11-13)18-15(19)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,18,19)
InChIKeyNTWLHHBGBISWLH-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide?
The IUPAC name of N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide (CID 3092150) is N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide.
What is the SMILES notation for N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide?
The canonical SMILES for N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide is CC1(C)C2CCC1(C)C(NC(=O)c1ccccc1)C2.
What is the InChIKey of N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide?
The InChIKey is NTWLHHBGBISWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-16(2)13-9-10-17(16,3)14(11-13)18-15(19)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,18,19).
What are the key properties of N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide?
N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide has a molecular weight of 257.38 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide is sourced from PubChem (CID 3092150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).