N-(2-bromophenyl)adamantane-1-carboxamide

C17H20BrNO — CID 2836235

IUPACN-(2-bromophenyl)adamantane-1-carboxamide
SMILESO=C(Nc1ccccc1Br)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H20BrNO/c18-14-3-1-2-4-15(14)19-16(20)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,19,20)
InChIKeyYPMSFTHDCZIYTF-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.60
Rot. Bonds2

About N-(2-bromophenyl)adamantane-1-carboxamide

N-(2-bromophenyl)adamantane-1-carboxamide (PubChem CID 2836235) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-(2-bromophenyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)adamantane-1-carboxamide
PubChem CID2836235
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-(2-bromophenyl)adamantane-1-carboxamide
SMILESO=C(Nc1ccccc1Br)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H20BrNO/c18-14-3-1-2-4-15(14)19-16(20)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,19,20)
InChIKeyYPMSFTHDCZIYTF-UHFFFAOYSA-N
XLogP4.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-bromophenyl)adamantane-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

N-[3-(trifluoromethyl)phenyl]adamantane-1-carboxamide
CID 331255
N-Phenyltricyclo[3.3.1.13,7]decane-1-acetamide
CID 4352323
2-(1-adamantyl)-N-(2,6-difluorophenyl)acetamide
CID 2741131
N-(4-fluorophenyl)adamantane-1-carboxamide
CID 331251
N-(2-bromophenyl)-2-(5,6,7,8-tetrahydro-2-naphthalenyl)acetamide
CID 1250182
2-(1-adamantyl)-N-(2-methylphenyl)acetamide
CID 5151658
N-(4-bromophenyl)-2-methyl-3-phenylpropanamide
CID 2854047
N-(4-acetamidophenyl)-2-(1-adamantyl)acetamide
CID 3955294
N-(4'-Bromophenyl)-2,2-diphenylacetanilide
CID 1810026
N-(2-phenylphenyl)adamantane-1-carboxamide
CID 3097465
N-[(4-bromophenyl)carbamothioyl]adamantane-1-carboxamide
CID 54787547
N-[(2,5-dibromophenyl)carbamothioyl]adamantane-1-carboxamide
CID 168272397

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)adamantane-1-carboxamide?
The IUPAC name of N-(2-bromophenyl)adamantane-1-carboxamide (CID 2836235) is N-(2-bromophenyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)adamantane-1-carboxamide?
The canonical SMILES for N-(2-bromophenyl)adamantane-1-carboxamide is O=C(Nc1ccccc1Br)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2-bromophenyl)adamantane-1-carboxamide?
The InChIKey is YPMSFTHDCZIYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c18-14-3-1-2-4-15(14)19-16(20)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,19,20).
What are the key properties of N-(2-bromophenyl)adamantane-1-carboxamide?
N-(2-bromophenyl)adamantane-1-carboxamide has a molecular weight of 334.26 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)adamantane-1-carboxamide is sourced from PubChem (CID 2836235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).