N-(2-adamantyl)-3-bromobenzamide

C17H20BrNO — CID 771513

IUPACN-(2-adamantyl)-3-bromobenzamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1cccc(Br)c1
InChIInChI=1S/C17H20BrNO/c18-15-3-1-2-12(9-15)17(20)19-16-13-5-10-4-11(7-13)8-14(16)6-10/h1-3,9-11,13-14,16H,4-8H2,(H,19,20)
InChIKeyFOYDEIZWMBAZMG-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.00
Rot. Bonds2

About N-(2-adamantyl)-3-bromobenzamide

N-(2-adamantyl)-3-bromobenzamide (PubChem CID 771513) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-(2-adamantyl)-3-bromobenzamide.

Molecular Properties

Compound NameN-(2-adamantyl)-3-bromobenzamide
PubChem CID771513
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-(2-adamantyl)-3-bromobenzamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1cccc(Br)c1
InChIInChI=1S/C17H20BrNO/c18-15-3-1-2-12(9-15)17(20)19-16-13-5-10-4-11(7-13)8-14(16)6-10/h1-3,9-11,13-14,16H,4-8H2,(H,19,20)
InChIKeyFOYDEIZWMBAZMG-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-adamantyl)-5-bromo-2-iodobenzamide
CID 103602440
N-(2-adamantyl)-3-phenylmethoxybenzamide
CID 1314081
N-(2-adamantyl)-4-phenylbenzamide
CID 3608392
N-(2-adamantyl)-3,5-dimethylbenzamide
CID 923702
4-[(3-bromobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209780
N-(2-adamantylcarbamothioyl)-3-iodobenzamide
CID 3360788
N-(2-adamantyl)-2-aminobenzamide
CID 61214981
3-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 40546214
N-(2-adamantyl)-5-amino-2-bromobenzamide
CID 115297133
N-(1-adamantylmethyl)-3-bromobenzamide
CID 4674117
N-(2-adamantyl)thiophene-3-carboxamide
CID 24555583
N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride
CID 86277418

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-3-bromobenzamide?
The IUPAC name of N-(2-adamantyl)-3-bromobenzamide (CID 771513) is N-(2-adamantyl)-3-bromobenzamide.
What is the SMILES notation for N-(2-adamantyl)-3-bromobenzamide?
The canonical SMILES for N-(2-adamantyl)-3-bromobenzamide is O=C(NC1C2CC3CC(C2)CC1C3)c1cccc(Br)c1.
What is the InChIKey of N-(2-adamantyl)-3-bromobenzamide?
The InChIKey is FOYDEIZWMBAZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c18-15-3-1-2-12(9-15)17(20)19-16-13-5-10-4-11(7-13)8-14(16)6-10/h1-3,9-11,13-14,16H,4-8H2,(H,19,20).
What are the key properties of N-(2-adamantyl)-3-bromobenzamide?
N-(2-adamantyl)-3-bromobenzamide has a molecular weight of 334.26 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-3-bromobenzamide is sourced from PubChem (CID 771513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).