N-(4-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide

C16H18BrNO2 — CID 18834264

IUPACN-(4-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCC1(C)C2CCC1(C(=O)Nc1ccc(Br)cc1)C(=O)C2
InChIInChI=1S/C16H18BrNO2/c1-15(2)10-7-8-16(15,13(19)9-10)14(20)18-12-5-3-11(17)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,18,20)
InChIKeyMKWKKIKWJNQCMP-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.78
Rot. Bonds2

About N-(4-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide

N-(4-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 18834264) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is N-(4-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID18834264
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC NameN-(4-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCC1(C)C2CCC1(C(=O)Nc1ccc(Br)cc1)C(=O)C2
InChIInChI=1S/C16H18BrNO2/c1-15(2)10-7-8-16(15,13(19)9-10)14(20)18-12-5-3-11(17)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,18,20)
InChIKeyMKWKKIKWJNQCMP-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'}

Analyze N-(4-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[(7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbonyl)amino]benzoate
CID 18834243
N-(2-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 18834254
N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 102547267
N-(4-bromophenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 18834574
N-(4-bromophenyl)-6,7-dichloro-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 18834740
7,7-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 18834316
N'-(2,4-dichlorobenzoyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbohydrazide
CID 18834286
phenyl 7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylate
CID 18834306
(1R,4S,6R)-6-bromo-N-(4-bromophenyl)-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carboxamide
CID 11881511
7,7-dimethyl-N'-(2-nitrobenzoyl)-2-oxobicyclo[2.2.1]heptane-1-carbohydrazide
CID 18834279
N-(4-bromophenyl)-2-[(2E,5S)-4-oxo-2-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135938171
N-(4-bromophenyl)-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198290

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N-(4-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide (CID 18834264) is N-(4-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide is CC1(C)C2CCC1(C(=O)Nc1ccc(Br)cc1)C(=O)C2.
What is the InChIKey of N-(4-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is MKWKKIKWJNQCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-15(2)10-7-8-16(15,13(19)9-10)14(20)18-12-5-3-11(17)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,18,20).
What are the key properties of N-(4-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
N-(4-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-(4-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 18834264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).