2,6-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide

C15H14Cl2N2O — CID 43601063

IUPAC2,6-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide
SMILESCNCc1ccccc1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2N2O/c1-18-9-10-5-2-3-8-13(10)19-15(20)14-11(16)6-4-7-12(14)17/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyPIRCSTGJXJGUTA-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.97
Rot. Bonds4

About 2,6-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide

2,6-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide (PubChem CID 43601063) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide
PubChem CID43601063
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name2,6-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide
SMILESCNCc1ccccc1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2N2O/c1-18-9-10-5-2-3-8-13(10)19-15(20)14-11(16)6-4-7-12(14)17/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyPIRCSTGJXJGUTA-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-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43600909
4,5-dichloro-N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43601084
2,6-dichloro-N-[(2-propylphenyl)carbamoyl]benzamide
CID 21197441
2-(3-chlorophenyl)-N-[2-(methylaminomethyl)phenyl]acetamide
CID 62505669
2,6-dichloro-N-(2-methoxyphenyl)benzamide
CID 853872
2,6-dichloro-N-(2-propan-2-ylphenyl)benzamide
CID 4547297
N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43601088
4-ethyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601035
N-[2-(methylaminomethyl)phenyl]-2-phenylacetamide
CID 43601028
3,4-dimethyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601073
2,3,4-trifluoro-N-[2-(methylaminomethyl)phenyl]benzamide
CID 79755148
N-[2-(methylaminomethyl)phenyl]-2-methylsulfanylacetamide
CID 43600953

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide (CID 43601063) is 2,6-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide is CNCc1ccccc1NC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide?
The InChIKey is PIRCSTGJXJGUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-18-9-10-5-2-3-8-13(10)19-15(20)14-11(16)6-4-7-12(14)17/h2-8,18H,9H2,1H3,(H,19,20).
What are the key properties of 2,6-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide?
2,6-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 2,6-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide is sourced from PubChem (CID 43601063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).