N-(4-bromo-3-fluorophenyl)adamantane-2-carboxamide

C17H19BrFNO — CID 81098384

IUPACN-(4-bromo-3-fluorophenyl)adamantane-2-carboxamide
SMILESO=C(Nc1ccc(Br)c(F)c1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H19BrFNO/c18-14-2-1-13(8-15(14)19)20-17(21)16-11-4-9-3-10(6-11)7-12(16)5-9/h1-2,8-12,16H,3-7H2,(H,20,21)
InChIKeyUXZKVAAPBITEAS-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.60
Rot. Bonds2

About N-(4-bromo-3-fluorophenyl)adamantane-2-carboxamide

N-(4-bromo-3-fluorophenyl)adamantane-2-carboxamide (PubChem CID 81098384) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)adamantane-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)adamantane-2-carboxamide
PubChem CID81098384
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC NameN-(4-bromo-3-fluorophenyl)adamantane-2-carboxamide
SMILESO=C(Nc1ccc(Br)c(F)c1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H19BrFNO/c18-14-2-1-13(8-15(14)19)20-17(21)16-11-4-9-3-10(6-11)7-12(16)5-9/h1-2,8-12,16H,3-7H2,(H,20,21)
InChIKeyUXZKVAAPBITEAS-UHFFFAOYSA-N
XLogP4.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(4-bromo-3-fluorophenyl)adamantane-2-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-(4-bromo-3-methylphenyl)adamantane-2-carboxamide
CID 78910053
N-(4-bromo-3-fluorophenyl)cyclopropanecarboxamide
CID 65436838
2-[(4-bromo-3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 65436092
N-(4-bromo-3-fluorophenyl)cyclohex-3-ene-1-carboxamide
CID 65430122
3-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119706250
2-[(4-bromo-3-fluorophenyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511906
N-(4-bromo-3-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 65429945
1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)urea
CID 171854849
N-(4-bromo-3-fluorophenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide
CID 166231417
4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198
(2S,5R)-5-(aminomethyl)-N-(4-bromo-3-fluorophenyl)oxolane-2-carboxamide
CID 120785826
N-[3-(dimethylcarbamoyl)phenyl]adamantane-2-carboxamide
CID 51339061

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)adamantane-2-carboxamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)adamantane-2-carboxamide (CID 81098384) is N-(4-bromo-3-fluorophenyl)adamantane-2-carboxamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)adamantane-2-carboxamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)adamantane-2-carboxamide is O=C(Nc1ccc(Br)c(F)c1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)adamantane-2-carboxamide?
The InChIKey is UXZKVAAPBITEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c18-14-2-1-13(8-15(14)19)20-17(21)16-11-4-9-3-10(6-11)7-12(16)5-9/h1-2,8-12,16H,3-7H2,(H,20,21).
What are the key properties of N-(4-bromo-3-fluorophenyl)adamantane-2-carboxamide?
N-(4-bromo-3-fluorophenyl)adamantane-2-carboxamide has a molecular weight of 352.25 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-(4-bromo-3-fluorophenyl)adamantane-2-carboxamide is sourced from PubChem (CID 81098384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).