N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylbenzamide

C16H15Cl2NO — CID 2446682

IUPACN-[(2,4-dichlorophenyl)methyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C16H15Cl2NO/c1-10-3-6-14(11(2)7-10)16(20)19-9-12-4-5-13(17)8-15(12)18/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyGHBSHWWPZJSSNV-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.54
Rot. Bonds3

About N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylbenzamide

N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylbenzamide (PubChem CID 2446682) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2,4-dimethylbenzamide
PubChem CID2446682
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C16H15Cl2NO/c1-10-3-6-14(11(2)7-10)16(20)19-9-12-4-5-13(17)8-15(12)18/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyGHBSHWWPZJSSNV-UHFFFAOYSA-N
XLogP4.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2,4,5-trimethylbenzamide
CID 100708024
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide
CID 9268844
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2,4-dimethylbenzamide
CID 100601656
N-[(2,4-dichlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126415166
N-[(2,4-dimethylphenyl)methyl]-3,4-dihydroxy-7-methyl-5-oxocyclohepta-1,3,6-triene-1-carboxamide
CID 155279314
N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide
CID 55329564
2-chloro-N-[(2,4-dichlorophenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 92682038
N-[(2,4-dichlorophenyl)methyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 7927947
N-[[4-(chloromethyl)phenyl]methyl]-2,4-dimethylbenzamide
CID 107233380
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657
N-[(2-chloro-4-methylphenyl)methyl]acetamide
CID 91098777
N-[(2-chlorophenyl)methyl]-4-hydroxy-2-methylbenzamide
CID 103863466

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylbenzamide (CID 2446682) is N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)c(C)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylbenzamide?
The InChIKey is GHBSHWWPZJSSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-10-3-6-14(11(2)7-10)16(20)19-9-12-4-5-13(17)8-15(12)18/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylbenzamide?
N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylbenzamide has a molecular weight of 308.21 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 2446682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).