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

C17H17Cl2NO — CID 100708024

IUPACN-[(2,4-dichlorophenyl)methyl]-2,4,5-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCc2ccc(Cl)cc2Cl)cc1C
InChIInChI=1S/C17H17Cl2NO/c1-10-6-12(3)15(7-11(10)2)17(21)20-9-13-4-5-14(18)8-16(13)19/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyPOFORDCMPWNBDA-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.85
Rot. Bonds3

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

N-[(2,4-dichlorophenyl)methyl]-2,4,5-trimethylbenzamide (PubChem CID 100708024) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2,4,5-trimethylbenzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2,4,5-trimethylbenzamide
PubChem CID100708024
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2,4,5-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCc2ccc(Cl)cc2Cl)cc1C
InChIInChI=1S/C17H17Cl2NO/c1-10-6-12(3)15(7-11(10)2)17(21)20-9-13-4-5-14(18)8-16(13)19/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyPOFORDCMPWNBDA-UHFFFAOYSA-N
XLogP4.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylbenzamide
CID 2446682
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide
CID 9268844
N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide
CID 55329564
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657
3-chloro-N-[(2,4-dichlorophenyl)methyl]pyridazine-4-carboxamide
CID 22992257
(4-chloro-2-methylphenyl)methylcarbamic acid
CID 68522575
N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide
CID 115193657
N-[(2,4-dichlorophenyl)methyl]-2-(methanesulfonamido)benzamide
CID 31321210
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 4794585
5-chloro-N-[(2,4-dichlorophenyl)methyl]pyrazine-2-carboxamide
CID 71655570
N-[(4-chloro-2-methylphenyl)methyl]acetamide
CID 67968204
2-chloro-N-[(2,4-dichlorophenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 92682038

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2,4,5-trimethylbenzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2,4,5-trimethylbenzamide (CID 100708024) is N-[(2,4-dichlorophenyl)methyl]-2,4,5-trimethylbenzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2,4,5-trimethylbenzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2,4,5-trimethylbenzamide is Cc1cc(C)c(C(=O)NCc2ccc(Cl)cc2Cl)cc1C.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2,4,5-trimethylbenzamide?
The InChIKey is POFORDCMPWNBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-10-6-12(3)15(7-11(10)2)17(21)20-9-13-4-5-14(18)8-16(13)19/h4-8H,9H2,1-3H3,(H,20,21).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2,4,5-trimethylbenzamide?
N-[(2,4-dichlorophenyl)methyl]-2,4,5-trimethylbenzamide has a molecular weight of 322.24 g/mol, XLogP of 4.85, 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]-2,4,5-trimethylbenzamide is sourced from PubChem (CID 100708024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).