3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide

C15H14Cl2N2O — CID 43600909

IUPAC3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide
SMILESCNCc1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2N2O/c1-18-9-11-4-2-3-5-14(11)19-15(20)10-6-7-12(16)13(17)8-10/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyIIQOBCFDFDZVIO-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.97
Rot. Bonds4

About 3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide

3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide (PubChem CID 43600909) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide
PubChem CID43600909
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide
SMILESCNCc1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2N2O/c1-18-9-11-4-2-3-5-14(11)19-15(20)10-6-7-12(16)13(17)8-10/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyIIQOBCFDFDZVIO-UHFFFAOYSA-N
XLogP3.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601073
3-hydroxy-4-methyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43600945
4-fluoro-3-methyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 63213814
2,6-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601063
[3-[[2-[(3,4-dichlorobenzoyl)amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108928561
3,4-diethoxy-N-[2-(methylaminomethyl)phenyl]benzamide
CID 119437877
4-ethyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601035
N-[2-(methylaminomethyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 43600970
4,5-dichloro-N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43601084
3,4-dichloro-N-(2-cyanophenyl)benzamide
CID 798668
3,4-dichloro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108933986
[4-[[2-[[(3,4-dichlorobenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108931501

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide (CID 43600909) is 3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide is CNCc1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide?
The InChIKey is IIQOBCFDFDZVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-18-9-11-4-2-3-5-14(11)19-15(20)10-6-7-12(16)13(17)8-10/h2-8,18H,9H2,1H3,(H,19,20).
What are the key properties of 3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide?
3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide has a molecular weight of 309.20 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide is sourced from PubChem (CID 43600909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).