N-(2-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide

C16H18BrNO2 — CID 18834254

IUPACN-(2-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCC1(C)C2CCC1(C(=O)Nc1ccccc1Br)C(=O)C2
InChIInChI=1S/C16H18BrNO2/c1-15(2)10-7-8-16(15,13(19)9-10)14(20)18-12-6-4-3-5-11(12)17/h3-6,10H,7-9H2,1-2H3,(H,18,20)
InChIKeyBRZSIWFWUPQWSS-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.78
Rot. Bonds2

About N-(2-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide

N-(2-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 18834254) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is N-(2-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID18834254
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC NameN-(2-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCC1(C)C2CCC1(C(=O)Nc1ccccc1Br)C(=O)C2
InChIInChI=1S/C16H18BrNO2/c1-15(2)10-7-8-16(15,13(19)9-10)14(20)18-12-6-4-3-5-11(12)17/h3-6,10H,7-9H2,1-2H3,(H,18,20)
InChIKeyBRZSIWFWUPQWSS-UHFFFAOYSA-N
XLogP3.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 18834264
N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 102547267
7,7-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 18834316
phenyl 7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylate
CID 18834306
ethyl 4-[(7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbonyl)amino]benzoate
CID 18834243
[1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-2-phenylethenyl]-trimethylazanium
CID 54524288
7,7-dimethyl-N'-(2-nitrobenzoyl)-2-oxobicyclo[2.2.1]heptane-1-carbohydrazide
CID 18834279
(1R,4R,6R)-6-bromo-N-(2-bromophenyl)-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carboxamide
CID 98144407
1-(aminomethyl)-N-(2-bromophenyl)cyclohexane-1-carboxamide
CID 113309812
N-ethyl-7,7-dimethyl-2-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide
CID 18834295
N-(2-bromophenyl)-1-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972470
(1S,4R)-7,7-dimethyl-N,2-dioxobicyclo[2.2.1]heptane-1-carboxamide
CID 102244184

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N-(2-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide (CID 18834254) is N-(2-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide is CC1(C)C2CCC1(C(=O)Nc1ccccc1Br)C(=O)C2.
What is the InChIKey of N-(2-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is BRZSIWFWUPQWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-15(2)10-7-8-16(15,13(19)9-10)14(20)18-12-6-4-3-5-11(12)17/h3-6,10H,7-9H2,1-2H3,(H,18,20).
What are the key properties of N-(2-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
N-(2-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 336.23 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 18834254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).