N-(1-adamantylmethyl)-3-iodobenzamide

C18H22INO — CID 7921302

IUPACN-(1-adamantylmethyl)-3-iodobenzamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(I)c1
InChIInChI=1S/C18H22INO/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)
InChIKeyVQUUIZNOKAEKSO-UHFFFAOYSA-N
MW395.28 g/mol
LogP4.24
Rot. Bonds3

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

N-(1-adamantylmethyl)-3-iodobenzamide (PubChem CID 7921302) has the molecular formula C18H22INO and a molecular weight of 395.28 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-3-iodobenzamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-3-iodobenzamide
PubChem CID7921302
Molecular FormulaC18H22INO
Molecular Weight395.28 g/mol
Exact Mass395.07
IUPAC NameN-(1-adamantylmethyl)-3-iodobenzamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(I)c1
InChIInChI=1S/C18H22INO/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)
InChIKeyVQUUIZNOKAEKSO-UHFFFAOYSA-N
XLogP4.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.28
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(1-adamantylmethyl)-3-bromobenzamide
CID 4674117
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-adamantylmethylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363782
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-iodobenzamide
CID 107301897
N-(2-amino-2-methylpropyl)-3-iodobenzamide
CID 81482556
N-(1-adamantylmethyl)-2-benzyl-3H-benzimidazole-5-carboxamide
CID 163397695
3-iodo-N-(2-sulfanylethyl)benzamide
CID 130616001
N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-3-iodobenzamide
CID 40884399

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-3-iodobenzamide?
The IUPAC name of N-(1-adamantylmethyl)-3-iodobenzamide (CID 7921302) is N-(1-adamantylmethyl)-3-iodobenzamide.
What is the SMILES notation for N-(1-adamantylmethyl)-3-iodobenzamide?
The canonical SMILES for N-(1-adamantylmethyl)-3-iodobenzamide is O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(I)c1.
What is the InChIKey of N-(1-adamantylmethyl)-3-iodobenzamide?
The InChIKey is VQUUIZNOKAEKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22INO/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-iodobenzamide?
N-(1-adamantylmethyl)-3-iodobenzamide has a molecular weight of 395.28 g/mol, XLogP of 4.24, 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-iodobenzamide is sourced from PubChem (CID 7921302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).