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

C16H17BrN2O — CID 43740131

IUPAC4-[(2-bromophenyl)methylamino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NCc2ccccc2Br)c(C)c1
InChIInChI=1S/C16H17BrN2O/c1-11-9-12(16(20)18-2)7-8-15(11)19-10-13-5-3-4-6-14(13)17/h3-9,19H,10H2,1-2H3,(H,18,20)
InChIKeyPBULCNJVIPLWIO-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.73
Rot. Bonds4

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

4-[(2-bromophenyl)methylamino]-N,3-dimethylbenzamide (PubChem CID 43740131) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 4-[(2-bromophenyl)methylamino]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-[(2-bromophenyl)methylamino]-N,3-dimethylbenzamide
PubChem CID43740131
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name4-[(2-bromophenyl)methylamino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NCc2ccccc2Br)c(C)c1
InChIInChI=1S/C16H17BrN2O/c1-11-9-12(16(20)18-2)7-8-15(11)19-10-13-5-3-4-6-14(13)17/h3-9,19H,10H2,1-2H3,(H,18,20)
InChIKeyPBULCNJVIPLWIO-UHFFFAOYSA-N
XLogP3.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,4-dimethylphenyl)methylamino]-N,3-dimethylbenzamide
CID 43740066
4-[(2,6-dimethylphenyl)methylamino]-N,3-dimethylbenzamide
CID 78997216
N-[(2-bromophenyl)methyl]-4-hydrazinyl-3-methylbenzamide
CID 63211705
4-[(5-bromofuran-2-yl)methylamino]-N,3-dimethylbenzamide
CID 43740112
N-[(2-bromophenyl)methyl]-3,4-dimethylbenzamide
CID 60739135
4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,3-dimethylbenzamide
CID 102833731
3-[(2-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 43432295
3-[(2-cyanophenyl)methylamino]-N,4-dimethylbenzamide
CID 33008844
4-[(3,4-dichlorophenyl)methylamino]-N,3-dimethylbenzamide
CID 43740076
3-bromo-4-[(2-methylphenyl)methylamino]benzoic acid
CID 82801807
2-[2-[(4-bromo-2-methylanilino)methyl]phenyl]acetic acid
CID 115461411
N,3-dimethyl-4-[(3-methylimidazol-4-yl)methylamino]benzamide
CID 66118950

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)methylamino]-N,3-dimethylbenzamide?
The IUPAC name of 4-[(2-bromophenyl)methylamino]-N,3-dimethylbenzamide (CID 43740131) is 4-[(2-bromophenyl)methylamino]-N,3-dimethylbenzamide.
What is the SMILES notation for 4-[(2-bromophenyl)methylamino]-N,3-dimethylbenzamide?
The canonical SMILES for 4-[(2-bromophenyl)methylamino]-N,3-dimethylbenzamide is CNC(=O)c1ccc(NCc2ccccc2Br)c(C)c1.
What is the InChIKey of 4-[(2-bromophenyl)methylamino]-N,3-dimethylbenzamide?
The InChIKey is PBULCNJVIPLWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11-9-12(16(20)18-2)7-8-15(11)19-10-13-5-3-4-6-14(13)17/h3-9,19H,10H2,1-2H3,(H,18,20).
What are the key properties of 4-[(2-bromophenyl)methylamino]-N,3-dimethylbenzamide?
4-[(2-bromophenyl)methylamino]-N,3-dimethylbenzamide has a molecular weight of 333.23 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)methylamino]-N,3-dimethylbenzamide is sourced from PubChem (CID 43740131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).