N-(1-adamantylmethyl)-3-bromobenzamide

C18H22BrNO — CID 4674117

IUPACN-(1-adamantylmethyl)-3-bromobenzamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(Br)c1
InChIInChI=1S/C18H22BrNO/c19-16-3-1-2-15(7-16)17(21)20-11-18-8-12-4-13(9-18)6-14(5-12)10-18/h1-3,7,12-14H,4-6,8-11H2,(H,20,21)
InChIKeyXXWGMNPZCKZSDB-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.40
Rot. Bonds3

About N-(1-adamantylmethyl)-3-bromobenzamide

N-(1-adamantylmethyl)-3-bromobenzamide (PubChem CID 4674117) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-3-bromobenzamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-3-bromobenzamide
PubChem CID4674117
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC NameN-(1-adamantylmethyl)-3-bromobenzamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(Br)c1
InChIInChI=1S/C18H22BrNO/c19-16-3-1-2-15(7-16)17(21)20-11-18-8-12-4-13(9-18)6-14(5-12)10-18/h1-3,7,12-14H,4-6,8-11H2,(H,20,21)
InChIKeyXXWGMNPZCKZSDB-UHFFFAOYSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-adamantylmethyl)-3-iodobenzamide
CID 7921302
N'-[2-(1-adamantyl)acetyl]-3-bromobenzohydrazide
CID 40596742
N-(1-adamantylmethyl)-3-(trifluoromethyl)benzamide
CID 4553132
N-(1-adamantylmethyl)naphthalene-2-carboxamide
CID 4284451
N-(1-adamantylmethyl)-3-(methoxymethyl)benzamide
CID 28538241
N-(1-adamantylmethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26866749
N-(1-adamantylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3972874
2-(1-adamantyl)ethyl 3-bromobenzoate
CID 585353
3-bromo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide
CID 7831409
2-(1-adamantyl)-N-[2-(3-bromoanilino)-2-oxoethyl]acetamide
CID 9341253
3-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide
CID 65124230
3-bromo-N-[(1-thiophen-3-ylcyclopropyl)methyl]benzamide
CID 146079134

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-3-bromobenzamide?
The IUPAC name of N-(1-adamantylmethyl)-3-bromobenzamide (CID 4674117) is N-(1-adamantylmethyl)-3-bromobenzamide.
What is the SMILES notation for N-(1-adamantylmethyl)-3-bromobenzamide?
The canonical SMILES for N-(1-adamantylmethyl)-3-bromobenzamide is O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(Br)c1.
What is the InChIKey of N-(1-adamantylmethyl)-3-bromobenzamide?
The InChIKey is XXWGMNPZCKZSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c19-16-3-1-2-15(7-16)17(21)20-11-18-8-12-4-13(9-18)6-14(5-12)10-18/h1-3,7,12-14H,4-6,8-11H2,(H,20,21).
What are the key properties of N-(1-adamantylmethyl)-3-bromobenzamide?
N-(1-adamantylmethyl)-3-bromobenzamide has a molecular weight of 348.28 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-3-bromobenzamide is sourced from PubChem (CID 4674117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).