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

C16H16BrNO — CID 112705888

IUPAC4-bromo-N,3-dimethyl-N-(4-methylphenyl)benzamide
SMILESCc1ccc(N(C)C(=O)c2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C16H16BrNO/c1-11-4-7-14(8-5-11)18(3)16(19)13-6-9-15(17)12(2)10-13/h4-10H,1-3H3
InChIKeyQHHIKBUDAROYDI-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.34
Rot. Bonds2

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

4-bromo-N,3-dimethyl-N-(4-methylphenyl)benzamide (PubChem CID 112705888) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 4-bromo-N,3-dimethyl-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-N,3-dimethyl-N-(4-methylphenyl)benzamide
PubChem CID112705888
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name4-bromo-N,3-dimethyl-N-(4-methylphenyl)benzamide
SMILESCc1ccc(N(C)C(=O)c2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C16H16BrNO/c1-11-4-7-14(8-5-11)18(3)16(19)13-6-9-15(17)12(2)10-13/h4-10H,1-3H3
InChIKeyQHHIKBUDAROYDI-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-(4-cyanophenyl)-N,3-dimethylbenzamide
CID 115772398
3-bromo-N,5-dimethyl-N-(4-methylphenyl)benzamide
CID 113460748
3-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide
CID 52851115
3-bromo-N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 79467031
N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 90825251
4-bromo-3-methyl-N-(4-methylphenyl)benzamide
CID 113396750
4-bromo-N,N-diethyl-3-methylbenzamide
CID 18960573
5-amino-N,2,4-trimethyl-N-(4-methylphenyl)benzamide
CID 102705474
N,4-dimethyl-N-(4-sulfamoylphenyl)benzamide
CID 61129425
N-(4-bromo-3-methylphenyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86963089
3-fluoro-N-methyl-N-(4-methylphenyl)-4-nitrobenzamide
CID 62682180
4-bromo-3-chloro-N-(2,4-dimethylphenyl)-N-methylbenzamide
CID 81308269

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,3-dimethyl-N-(4-methylphenyl)benzamide?
The IUPAC name of 4-bromo-N,3-dimethyl-N-(4-methylphenyl)benzamide (CID 112705888) is 4-bromo-N,3-dimethyl-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 4-bromo-N,3-dimethyl-N-(4-methylphenyl)benzamide?
The canonical SMILES for 4-bromo-N,3-dimethyl-N-(4-methylphenyl)benzamide is Cc1ccc(N(C)C(=O)c2ccc(Br)c(C)c2)cc1.
What is the InChIKey of 4-bromo-N,3-dimethyl-N-(4-methylphenyl)benzamide?
The InChIKey is QHHIKBUDAROYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-11-4-7-14(8-5-11)18(3)16(19)13-6-9-15(17)12(2)10-13/h4-10H,1-3H3.
What are the key properties of 4-bromo-N,3-dimethyl-N-(4-methylphenyl)benzamide?
4-bromo-N,3-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 4-bromo-N,3-dimethyl-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 112705888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).