3-bromo-N,5-dimethyl-N-(4-methylphenyl)benzamide

C16H16BrNO — CID 113460748

IUPAC3-bromo-N,5-dimethyl-N-(4-methylphenyl)benzamide
SMILESCc1ccc(N(C)C(=O)c2cc(C)cc(Br)c2)cc1
InChIInChI=1S/C16H16BrNO/c1-11-4-6-15(7-5-11)18(3)16(19)13-8-12(2)9-14(17)10-13/h4-10H,1-3H3
InChIKeyNBOZOZZFWWWNTH-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.34
Rot. Bonds2

About 3-bromo-N,5-dimethyl-N-(4-methylphenyl)benzamide

3-bromo-N,5-dimethyl-N-(4-methylphenyl)benzamide (PubChem CID 113460748) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 3-bromo-N,5-dimethyl-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-N,5-dimethyl-N-(4-methylphenyl)benzamide
PubChem CID113460748
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name3-bromo-N,5-dimethyl-N-(4-methylphenyl)benzamide
SMILESCc1ccc(N(C)C(=O)c2cc(C)cc(Br)c2)cc1
InChIInChI=1S/C16H16BrNO/c1-11-4-6-15(7-5-11)18(3)16(19)13-8-12(2)9-14(17)10-13/h4-10H,1-3H3
InChIKeyNBOZOZZFWWWNTH-UHFFFAOYSA-N
XLogP4.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N,3-dimethyl-N-(4-methylphenyl)benzamide
CID 112705888
3-bromo-N-(3,5-dimethylphenyl)-N-methylbenzamide
CID 47314027
3,5-dibromo-N-methyl-N-(4-nitrophenyl)benzamide
CID 103910103
3-bromo-N-methoxy-N,5-dimethylbenzamide
CID 89425186
N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 90825251
3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739345
3-bromo-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzamide
CID 104852714
3-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide
CID 52851115
5-acetyl-1-N,3-N-dimethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide;ethane;toluene
CID 143365757
3-amino-5-ethoxy-N-methyl-N-(4-methylphenyl)benzamide
CID 81093808
3-bromo-N-ethyl-5-methyl-N-propan-2-ylbenzamide
CID 104851891
3-bromo-N-ethyl-5-methyl-N-pyridin-4-ylbenzamide
CID 104854747

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,5-dimethyl-N-(4-methylphenyl)benzamide?
The IUPAC name of 3-bromo-N,5-dimethyl-N-(4-methylphenyl)benzamide (CID 113460748) is 3-bromo-N,5-dimethyl-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 3-bromo-N,5-dimethyl-N-(4-methylphenyl)benzamide?
The canonical SMILES for 3-bromo-N,5-dimethyl-N-(4-methylphenyl)benzamide is Cc1ccc(N(C)C(=O)c2cc(C)cc(Br)c2)cc1.
What is the InChIKey of 3-bromo-N,5-dimethyl-N-(4-methylphenyl)benzamide?
The InChIKey is NBOZOZZFWWWNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-11-4-6-15(7-5-11)18(3)16(19)13-8-12(2)9-14(17)10-13/h4-10H,1-3H3.
What are the key properties of 3-bromo-N,5-dimethyl-N-(4-methylphenyl)benzamide?
3-bromo-N,5-dimethyl-N-(4-methylphenyl)benzamide has a molecular weight of 318.21 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,5-dimethyl-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 113460748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).