N-(1-adamantylmethyl)-2-bromobenzamide

C18H22BrNO — CID 7750121

IUPACN-(1-adamantylmethyl)-2-bromobenzamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1ccccc1Br
InChIInChI=1S/C18H22BrNO/c19-16-4-2-1-3-15(16)17(21)20-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,20,21)
InChIKeyWFVUWPAKGSXANP-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.40
Rot. Bonds3

About N-(1-adamantylmethyl)-2-bromobenzamide

N-(1-adamantylmethyl)-2-bromobenzamide (PubChem CID 7750121) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-bromobenzamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-bromobenzamide
PubChem CID7750121
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC NameN-(1-adamantylmethyl)-2-bromobenzamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1ccccc1Br
InChIInChI=1S/C18H22BrNO/c19-16-4-2-1-3-15(16)17(21)20-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,20,21)
InChIKeyWFVUWPAKGSXANP-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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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-bromobenzamide?
The IUPAC name of N-(1-adamantylmethyl)-2-bromobenzamide (CID 7750121) is N-(1-adamantylmethyl)-2-bromobenzamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-bromobenzamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-bromobenzamide is O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccccc1Br.
What is the InChIKey of N-(1-adamantylmethyl)-2-bromobenzamide?
The InChIKey is WFVUWPAKGSXANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c19-16-4-2-1-3-15(16)17(21)20-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,20,21).
What are the key properties of N-(1-adamantylmethyl)-2-bromobenzamide?
N-(1-adamantylmethyl)-2-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)-2-bromobenzamide is sourced from PubChem (CID 7750121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).