N-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide

C15H14Cl2N2O — CID 43458410

IUPACN-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide
SMILESCN(Cc1ccccc1N)C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2N2O/c1-19(9-10-5-2-3-8-13(10)18)15(20)14-11(16)6-4-7-12(14)17/h2-8H,9,18H2,1H3
InChIKeyMKTHTPGLNKPKJN-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.85
Rot. Bonds3

About N-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide

N-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide (PubChem CID 43458410) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide
PubChem CID43458410
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC NameN-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide
SMILESCN(Cc1ccccc1N)C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2N2O/c1-19(9-10-5-2-3-8-13(10)18)15(20)14-11(16)6-4-7-12(14)17/h2-8H,9,18H2,1H3
InChIKeyMKTHTPGLNKPKJN-UHFFFAOYSA-N
XLogP3.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2-aminophenyl)methyl]-N,2,6-trimethylbenzamide
CID 107999875
N-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 60630835
2-(2-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 61117245
N-[(2-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide
CID 106860369
N-[(2-aminophenyl)methyl]-2-bromo-6-fluoro-N-methylbenzamide
CID 114558373
2-amino-6-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 55246430
2-amino-6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
CID 63660537
N-[(2-aminophenyl)methyl]-4-iodo-N-methylbenzamide
CID 43458354
N-[(2-aminophenyl)methyl]-2-bromo-4-chloro-N-methylbenzamide
CID 107986287
N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
2-amino-6-chloro-N-(cyclopropylmethyl)-N-methylbenzamide
CID 63658050
4-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 81240859

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide (CID 43458410) is N-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide is CN(Cc1ccccc1N)C(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide?
The InChIKey is MKTHTPGLNKPKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-19(9-10-5-2-3-8-13(10)18)15(20)14-11(16)6-4-7-12(14)17/h2-8H,9,18H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide?
N-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide has a molecular weight of 309.20 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide is sourced from PubChem (CID 43458410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).