N-[2-(1-adamantyl)ethyl]-2-bromobenzamide

C19H24BrNO — CID 43008517

IUPACN-[2-(1-adamantyl)ethyl]-2-bromobenzamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccccc1Br
InChIInChI=1S/C19H24BrNO/c20-17-4-2-1-3-16(17)18(22)21-6-5-19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2,(H,21,22)
InChIKeyJZSQIRGQSQVQQK-UHFFFAOYSA-N
MW362.31 g/mol
LogP4.79
Rot. Bonds4

About N-[2-(1-adamantyl)ethyl]-2-bromobenzamide

N-[2-(1-adamantyl)ethyl]-2-bromobenzamide (PubChem CID 43008517) has the molecular formula C19H24BrNO and a molecular weight of 362.31 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-2-bromobenzamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-2-bromobenzamide
PubChem CID43008517
Molecular FormulaC19H24BrNO
Molecular Weight362.31 g/mol
Exact Mass361.10
IUPAC NameN-[2-(1-adamantyl)ethyl]-2-bromobenzamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccccc1Br
InChIInChI=1S/C19H24BrNO/c20-17-4-2-1-3-16(17)18(22)21-6-5-19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2,(H,21,22)
InChIKeyJZSQIRGQSQVQQK-UHFFFAOYSA-N
XLogP4.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(4-phenylbutyl)benzamide
CID 2057509
N-benzyl-2-bromobenzamide
CID 687458
3-bromo-N-(3-phenylpropyl)benzamide
CID 2169887
2-bromo-N-(2-phenylethyl)benzamide
CID 673840
4-bromo-N-(4-phenylbutyl)benzamide
CID 2057443
2-bromo-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 1930369
N-[(adamantan-1-yl)methyl]benzamide
CID 3452818
N-benzyladamantane-1-carboxamide
CID 3826889
N-[(adamantan-1-yl)methyl]-2-bromobenzamide
CID 7750121
N-(1-adamantylmethyl)-2-methylbenzamide
CID 8923919
N-[3-(benzylmethylamino)propyl]-2-bromobenzamide
CID 40624141
3-bromo-N-phenethylbenzamide
CID 787883

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]-2-bromobenzamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-2-bromobenzamide (CID 43008517) is N-[2-(1-adamantyl)ethyl]-2-bromobenzamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-2-bromobenzamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-2-bromobenzamide is O=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccccc1Br.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-2-bromobenzamide?
The InChIKey is JZSQIRGQSQVQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrNO/c20-17-4-2-1-3-16(17)18(22)21-6-5-19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2,(H,21,22).
What are the key properties of N-[2-(1-adamantyl)ethyl]-2-bromobenzamide?
N-[2-(1-adamantyl)ethyl]-2-bromobenzamide has a molecular weight of 362.31 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]-2-bromobenzamide is sourced from PubChem (CID 43008517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).