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

C16H20N2O2 — CID 2849873

IUPACN-(3-acetamidophenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CC3CCC2C3)c1
InChIInChI=1S/C16H20N2O2/c1-10(19)17-13-3-2-4-14(9-13)18-16(20)15-8-11-5-6-12(15)7-11/h2-4,9,11-12,15H,5-8H2,1H3,(H,17,19)(H,18,20)
InChIKeyDJMUUUIYQFMPQR-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.02
Rot. Bonds3

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

N-(3-acetamidophenyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 2849873) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(3-acetamidophenyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID2849873
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(3-acetamidophenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CC3CCC2C3)c1
InChIInChI=1S/C16H20N2O2/c1-10(19)17-13-3-2-4-14(9-13)18-16(20)15-8-11-5-6-12(15)7-11/h2-4,9,11-12,15H,5-8H2,1H3,(H,17,19)(H,18,20)
InChIKeyDJMUUUIYQFMPQR-UHFFFAOYSA-N
XLogP3.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 2849873) is N-(3-acetamidophenyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)bicyclo[2.2.1]heptane-2-carboxamide is CC(=O)Nc1cccc(NC(=O)C2CC3CCC2C3)c1.
What is the InChIKey of N-(3-acetamidophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is DJMUUUIYQFMPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10(19)17-13-3-2-4-14(9-13)18-16(20)15-8-11-5-6-12(15)7-11/h2-4,9,11-12,15H,5-8H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(3-acetamidophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(3-acetamidophenyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 2849873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).