N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide

C16H15Cl2NO2 — CID 9268844

IUPACN-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2NO2/c1-10-3-6-15(21-2)13(7-10)16(20)19-9-11-4-5-12(17)8-14(11)18/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyXKXZMIYZZWTUTO-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.24
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide

N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide (PubChem CID 9268844) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide
PubChem CID9268844
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2NO2/c1-10-3-6-15(21-2)13(7-10)16(20)19-9-11-4-5-12(17)8-14(11)18/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyXKXZMIYZZWTUTO-UHFFFAOYSA-N
XLogP4.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide
CID 55329564
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 4794585
N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylbenzamide
CID 2446682
N-[(2,4-dichlorophenyl)methyl]-2,4,5-trimethylbenzamide
CID 100708024
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614690
N-[(2,4-dichlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9045958
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-4-methylaniline
CID 63451269
N-[(2,4-dichlorophenyl)methyl]-5-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-methoxybenzamide
CID 91036942
1-[(2,4-dichlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157404
N-[(2,4-dichlorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide
CID 21367878
N-[(2,4-dichlorophenyl)methyl]-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide
CID 30148202

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide (CID 9268844) is N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide is COc1ccc(C)cc1C(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide?
The InChIKey is XKXZMIYZZWTUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-10-3-6-15(21-2)13(7-10)16(20)19-9-11-4-5-12(17)8-14(11)18/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide?
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide has a molecular weight of 324.21 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 9268844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).