3-[(3,4-dibromophenyl)methylamino]-N-methylbenzamide

C15H14Br2N2O — CID 115743476

IUPAC3-[(3,4-dibromophenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NCc2ccc(Br)c(Br)c2)c1
InChIInChI=1S/C15H14Br2N2O/c1-18-15(20)11-3-2-4-12(8-11)19-9-10-5-6-13(16)14(17)7-10/h2-8,19H,9H2,1H3,(H,18,20)
InChIKeyVIQRRSJJORWYRJ-UHFFFAOYSA-N
MW398.10 g/mol
LogP4.18
Rot. Bonds4

About 3-[(3,4-dibromophenyl)methylamino]-N-methylbenzamide

3-[(3,4-dibromophenyl)methylamino]-N-methylbenzamide (PubChem CID 115743476) has the molecular formula C15H14Br2N2O and a molecular weight of 398.10 g/mol. Its IUPAC name is 3-[(3,4-dibromophenyl)methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(3,4-dibromophenyl)methylamino]-N-methylbenzamide
PubChem CID115743476
Molecular FormulaC15H14Br2N2O
Molecular Weight398.10 g/mol
Exact Mass395.95
IUPAC Name3-[(3,4-dibromophenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NCc2ccc(Br)c(Br)c2)c1
InChIInChI=1S/C15H14Br2N2O/c1-18-15(20)11-3-2-4-12(8-11)19-9-10-5-6-13(16)14(17)7-10/h2-8,19H,9H2,1H3,(H,18,20)
InChIKeyVIQRRSJJORWYRJ-UHFFFAOYSA-N
XLogP4.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.10
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-bromo-4-hydroxyphenyl)methylamino]-N-methylbenzamide
CID 63045684
3-[(3-bromo-4-chlorophenyl)methylamino]-N-methylbenzamide
CID 83235615
3-[[4-(dimethylamino)phenyl]methylamino]-N-methylbenzamide
CID 28650216
N-methyl-3-(pyridin-4-ylmethylamino)benzamide
CID 28650269
3-[(3-methoxyphenyl)methylamino]-N-methylbenzamide
CID 28650224
N-methyl-3-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104756566
3-[(6-methoxy-3-pyridinyl)methylamino]-N-methylbenzamide
CID 114936335
4-[(3,4-dibromophenyl)methylamino]benzamide
CID 115753010
N-methyl-3-[(2-methylphenyl)methylamino]benzamide
CID 28650229
methyl 5-[[3-(methylcarbamoyl)anilino]methyl]furan-2-carboxylate
CID 43222502
3-[[2-(3-bromoanilino)acetyl]amino]-N-methylbenzamide
CID 33159048
N-methyl-4-[(3-methylsulfanylanilino)methyl]benzamide
CID 60961432

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dibromophenyl)methylamino]-N-methylbenzamide?
The IUPAC name of 3-[(3,4-dibromophenyl)methylamino]-N-methylbenzamide (CID 115743476) is 3-[(3,4-dibromophenyl)methylamino]-N-methylbenzamide.
What is the SMILES notation for 3-[(3,4-dibromophenyl)methylamino]-N-methylbenzamide?
The canonical SMILES for 3-[(3,4-dibromophenyl)methylamino]-N-methylbenzamide is CNC(=O)c1cccc(NCc2ccc(Br)c(Br)c2)c1.
What is the InChIKey of 3-[(3,4-dibromophenyl)methylamino]-N-methylbenzamide?
The InChIKey is VIQRRSJJORWYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O/c1-18-15(20)11-3-2-4-12(8-11)19-9-10-5-6-13(16)14(17)7-10/h2-8,19H,9H2,1H3,(H,18,20).
What are the key properties of 3-[(3,4-dibromophenyl)methylamino]-N-methylbenzamide?
3-[(3,4-dibromophenyl)methylamino]-N-methylbenzamide has a molecular weight of 398.10 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dibromophenyl)methylamino]-N-methylbenzamide is sourced from PubChem (CID 115743476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).