3-[(3-bromo-4-chlorophenyl)methylamino]-N-methylbenzamide

C15H14BrClN2O — CID 83235615

IUPAC3-[(3-bromo-4-chlorophenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NCc2ccc(Cl)c(Br)c2)c1
InChIInChI=1S/C15H14BrClN2O/c1-18-15(20)11-3-2-4-12(8-11)19-9-10-5-6-14(17)13(16)7-10/h2-8,19H,9H2,1H3,(H,18,20)
InChIKeyMLLRYABERVETPH-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.07
Rot. Bonds4

About 3-[(3-bromo-4-chlorophenyl)methylamino]-N-methylbenzamide

3-[(3-bromo-4-chlorophenyl)methylamino]-N-methylbenzamide (PubChem CID 83235615) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 3-[(3-bromo-4-chlorophenyl)methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(3-bromo-4-chlorophenyl)methylamino]-N-methylbenzamide
PubChem CID83235615
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name3-[(3-bromo-4-chlorophenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NCc2ccc(Cl)c(Br)c2)c1
InChIInChI=1S/C15H14BrClN2O/c1-18-15(20)11-3-2-4-12(8-11)19-9-10-5-6-14(17)13(16)7-10/h2-8,19H,9H2,1H3,(H,18,20)
InChIKeyMLLRYABERVETPH-UHFFFAOYSA-N
XLogP4.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,4-dibromophenyl)methylamino]-N-methylbenzamide
CID 115743476
3-[(3-bromo-4-hydroxyphenyl)methylamino]-N-methylbenzamide
CID 63045684
[3-[(3-bromo-4-chlorophenyl)methylamino]phenyl]methanol
CID 83235833
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
5-[(3-bromo-4-chlorophenyl)methylamino]-2-chlorobenzoic acid
CID 83230245
4-[(3-bromo-4-chlorophenyl)methylamino]-2-chlorophenol
CID 107678809
3-[(3-chloro-4-methylphenyl)methylamino]-N-ethylbenzamide
CID 106816302
3-[(4-chloro-2-methylphenyl)methylamino]-N-methylbenzamide
CID 104854341
3-[(6-methoxy-3-pyridinyl)methylamino]-N-methylbenzamide
CID 114936335

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-chlorophenyl)methylamino]-N-methylbenzamide?
The IUPAC name of 3-[(3-bromo-4-chlorophenyl)methylamino]-N-methylbenzamide (CID 83235615) is 3-[(3-bromo-4-chlorophenyl)methylamino]-N-methylbenzamide.
What is the SMILES notation for 3-[(3-bromo-4-chlorophenyl)methylamino]-N-methylbenzamide?
The canonical SMILES for 3-[(3-bromo-4-chlorophenyl)methylamino]-N-methylbenzamide is CNC(=O)c1cccc(NCc2ccc(Cl)c(Br)c2)c1.
What is the InChIKey of 3-[(3-bromo-4-chlorophenyl)methylamino]-N-methylbenzamide?
The InChIKey is MLLRYABERVETPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-18-15(20)11-3-2-4-12(8-11)19-9-10-5-6-14(17)13(16)7-10/h2-8,19H,9H2,1H3,(H,18,20).
What are the key properties of 3-[(3-bromo-4-chlorophenyl)methylamino]-N-methylbenzamide?
3-[(3-bromo-4-chlorophenyl)methylamino]-N-methylbenzamide has a molecular weight of 353.65 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-chlorophenyl)methylamino]-N-methylbenzamide is sourced from PubChem (CID 83235615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).