N-(1-adamantyl)-4-bromo-3-chlorobenzamide

C17H19BrClNO — CID 81295141

IUPACN-(1-adamantyl)-4-bromo-3-chlorobenzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C17H19BrClNO/c18-14-2-1-13(6-15(14)19)16(21)20-17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12H,3-5,7-9H2,(H,20,21)
InChIKeyZSUJYQSRSSGSFQ-UHFFFAOYSA-N
MW368.70 g/mol
LogP4.80
Rot. Bonds2

About N-(1-adamantyl)-4-bromo-3-chlorobenzamide

N-(1-adamantyl)-4-bromo-3-chlorobenzamide (PubChem CID 81295141) has the molecular formula C17H19BrClNO and a molecular weight of 368.70 g/mol. Its IUPAC name is N-(1-adamantyl)-4-bromo-3-chlorobenzamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-bromo-3-chlorobenzamide
PubChem CID81295141
Molecular FormulaC17H19BrClNO
Molecular Weight368.70 g/mol
Exact Mass367.03
IUPAC NameN-(1-adamantyl)-4-bromo-3-chlorobenzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C17H19BrClNO/c18-14-2-1-13(6-15(14)19)16(21)20-17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12H,3-5,7-9H2,(H,20,21)
InChIKeyZSUJYQSRSSGSFQ-UHFFFAOYSA-N
XLogP4.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.70
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(1-adamantyl)-4-bromo-3-chlorobenzamide 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-(1-adamantyl)-4-chlorobenzamide
CID 2848134
N-(1-adamantyl)-4-sulfanylbenzamide
CID 107019898
N-(1-adamantyl)-3,5-dichloro-4-methoxybenzamide
CID 17102619
4-bromo-3-chloro-N-cyclopent-3-en-1-ylbenzamide
CID 115703314
N-(1-adamantyl)-2-chloro-4-methylbenzamide
CID 2906667
N-(1-bicyclo[1.1.1]pentanyl)-3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 176731373
N-(2-bicyclo[2.2.1]heptanyl)-4-bromo-3-chlorobenzamide
CID 81306954
4-(1-bicyclo[1.1.1]pentanylcarbamoyl)benzoic acid
CID 178070536
N-(1-adamantyl)-2-chloro-4,5-difluorobenzamide
CID 2966846
4-bromo-3-chloro-N-cyclohexylbenzamide
CID 81295345
4-bromo-3-chloro-N-(4,4-dimethylcyclohexyl)benzamide
CID 81308376
4-bromo-N-[1-(bromomethyl)cyclohexyl]-3-chlorobenzamide
CID 113275490

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-bromo-3-chlorobenzamide?
The IUPAC name of N-(1-adamantyl)-4-bromo-3-chlorobenzamide (CID 81295141) is N-(1-adamantyl)-4-bromo-3-chlorobenzamide.
What is the SMILES notation for N-(1-adamantyl)-4-bromo-3-chlorobenzamide?
The canonical SMILES for N-(1-adamantyl)-4-bromo-3-chlorobenzamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(Br)c(Cl)c1.
What is the InChIKey of N-(1-adamantyl)-4-bromo-3-chlorobenzamide?
The InChIKey is ZSUJYQSRSSGSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO/c18-14-2-1-13(6-15(14)19)16(21)20-17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12H,3-5,7-9H2,(H,20,21).
What are the key properties of N-(1-adamantyl)-4-bromo-3-chlorobenzamide?
N-(1-adamantyl)-4-bromo-3-chlorobenzamide has a molecular weight of 368.70 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-bromo-3-chlorobenzamide is sourced from PubChem (CID 81295141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).