N-[(2-bromophenyl)methyl]-3,4-dimethylbenzamide

C16H16BrNO — CID 60739135

IUPACN-[(2-bromophenyl)methyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCc2ccccc2Br)cc1C
InChIInChI=1S/C16H16BrNO/c1-11-7-8-13(9-12(11)2)16(19)18-10-14-5-3-4-6-15(14)17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyNDXYRAGBLNPOPH-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.00
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-3,4-dimethylbenzamide

N-[(2-bromophenyl)methyl]-3,4-dimethylbenzamide (PubChem CID 60739135) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-3,4-dimethylbenzamide
PubChem CID60739135
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC NameN-[(2-bromophenyl)methyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCc2ccccc2Br)cc1C
InChIInChI=1S/C16H16BrNO/c1-11-7-8-13(9-12(11)2)16(19)18-10-14-5-3-4-6-15(14)17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyNDXYRAGBLNPOPH-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromophenyl)methyl]-4-hydrazinyl-3-methylbenzamide
CID 63211705
N-[(2-bromophenyl)methyl]-3-methylbenzamide
CID 60739134
4-bromo-N-[(2-fluorophenyl)methyl]-3-methylbenzamide
CID 113396747
3-amino-N-[(2-bromophenyl)methyl]-4-methoxybenzamide
CID 61401758
[2-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl]methyl-diethylazanium
CID 9073183
3-amino-N-[(2-bromophenyl)methyl]-4-chlorobenzamide
CID 61401723
N-[(2-bromophenyl)methyl]-5-fluoro-2-methylbenzamide
CID 55025566
3,5-diamino-N-[(2-bromophenyl)methyl]benzamide
CID 61401694
4-[(2-bromophenyl)methylamino]-N,3-dimethylbenzamide
CID 43740131
4-hydroxy-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103951655
3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 54940691
3-(aminomethyl)-N-[(2-bromophenyl)methyl]benzamide
CID 115161179

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-3,4-dimethylbenzamide (CID 60739135) is N-[(2-bromophenyl)methyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCc2ccccc2Br)cc1C.
What is the InChIKey of N-[(2-bromophenyl)methyl]-3,4-dimethylbenzamide?
The InChIKey is NDXYRAGBLNPOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-11-7-8-13(9-12(11)2)16(19)18-10-14-5-3-4-6-15(14)17/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of N-[(2-bromophenyl)methyl]-3,4-dimethylbenzamide?
N-[(2-bromophenyl)methyl]-3,4-dimethylbenzamide has a molecular weight of 318.21 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 60739135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).