N-[1-(4-bromophenyl)-3-methyl-1-oxobutan-2-yl]benzamide

C18H18BrNO2 — CID 70695195

IUPACN-[1-(4-bromophenyl)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H18BrNO2/c1-12(2)16(17(21)13-8-10-15(19)11-9-13)20-18(22)14-6-4-3-5-7-14/h3-12,16H,1-2H3,(H,20,22)
InChIKeyDKKPQUFSNQFNET-UHFFFAOYSA-N
MW360.25 g/mol
LogP4.09
Rot. Bonds5

About N-[1-(4-bromophenyl)-3-methyl-1-oxobutan-2-yl]benzamide

N-[1-(4-bromophenyl)-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 70695195) has the molecular formula C18H18BrNO2 and a molecular weight of 360.25 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID70695195
Molecular FormulaC18H18BrNO2
Molecular Weight360.25 g/mol
Exact Mass359.05
IUPAC NameN-[1-(4-bromophenyl)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H18BrNO2/c1-12(2)16(17(21)13-8-10-15(19)11-9-13)20-18(22)14-6-4-3-5-7-14/h3-12,16H,1-2H3,(H,20,22)
InChIKeyDKKPQUFSNQFNET-UHFFFAOYSA-N
XLogP4.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide
CID 2211217
Bromadoline
CID 54753
1-(4-Bromophenyl)-2-(tert-butylamino)propan-1-one
CID 44542509
3-bromo-N-(4-phenylbutyl)benzamide
CID 2057509
N-[2-(4-bromophenyl)-2-oxoethyl]-2-fluorobenzamide
CID 2798239
N-Benzyl-2-(4-bromo-phenyl)-acetamide
CID 670038
n-Benzyl-4-bromobenzamide
CID 781117
N-[2-(4-bromophenyl)-2-oxoethyl]-4-chlorobenzamide
CID 335179
N-benzyl-2-bromobenzamide
CID 687458
3-bromo-N-(3-phenylpropyl)benzamide
CID 2169887
2-bromo-N-(2-phenylethyl)benzamide
CID 673840
4-Bromomethcathinone
CID 10421832

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of N-[1-(4-bromophenyl)-3-methyl-1-oxobutan-2-yl]benzamide (CID 70695195) is N-[1-(4-bromophenyl)-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[1-(4-bromophenyl)-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[1-(4-bromophenyl)-3-methyl-1-oxobutan-2-yl]benzamide is CC(C)C(NC(=O)c1ccccc1)C(=O)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is DKKPQUFSNQFNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO2/c1-12(2)16(17(21)13-8-10-15(19)11-9-13)20-18(22)14-6-4-3-5-7-14/h3-12,16H,1-2H3,(H,20,22).
What are the key properties of N-[1-(4-bromophenyl)-3-methyl-1-oxobutan-2-yl]benzamide?
N-[1-(4-bromophenyl)-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 360.25 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 70695195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).