3,4-dimethylbenzamide;3,4-dimethylbenzoyl chloride;methane

C19H24ClNO2 — CID 159802984

IUPAC3,4-dimethylbenzamide;3,4-dimethylbenzoyl chloride;methane
SMILESC.Cc1ccc(C(=O)Cl)cc1C.Cc1ccc(C(N)=O)cc1C
InChIInChI=1S/C9H9ClO.C9H11NO.CH4/c2*1-6-3-4-8(9(10)11)5-7(6)2;/h3-5H,1-2H3;3-5H,1-2H3,(H2,10,11);1H4
InChIKeyNKAMAUBVBLTDTD-UHFFFAOYSA-N
MW333.86 g/mol
LogP4.72
Rot. Bonds2

About 3,4-dimethylbenzamide;3,4-dimethylbenzoyl chloride;methane

3,4-dimethylbenzamide;3,4-dimethylbenzoyl chloride;methane (PubChem CID 159802984) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is 3,4-dimethylbenzamide;3,4-dimethylbenzoyl chloride;methane.

Molecular Properties

Compound Name3,4-dimethylbenzamide;3,4-dimethylbenzoyl chloride;methane
PubChem CID159802984
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC Name3,4-dimethylbenzamide;3,4-dimethylbenzoyl chloride;methane
SMILESC.Cc1ccc(C(=O)Cl)cc1C.Cc1ccc(C(N)=O)cc1C
InChIInChI=1S/C9H9ClO.C9H11NO.CH4/c2*1-6-3-4-8(9(10)11)5-7(6)2;/h3-5H,1-2H3;3-5H,1-2H3,(H2,10,11);1H4
InChIKeyNKAMAUBVBLTDTD-UHFFFAOYSA-N
XLogP4.72
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethylbenzoyl chloride;methane
CID 155746404
3-chloro-4-methylbenzamide;ethane
CID 162191867
3-formyl-4-methylbenzoyl chloride
CID 162361859
4-methyl-3-phosphanylbenzamide
CID 142140528
4-isocyano-3-methylbenzoyl chloride
CID 59020787
2-(3,4-dimethylphenyl)prop-2-enamide
CID 69495371
4-carbamoyl-2-methylbenzenesulfonyl chloride
CID 15922007
methyl 4-carbonochloridoyl-2-methylbenzoate
CID 141487555
chloro 3,4-dimethylbenzoate
CID 174727966
2-[4-carbamoyl-N-(carboxymethyl)-2-methylanilino]acetic acid
CID 55244982
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 1266797
(4-carbonochloridoyl-2-methylphenyl) acetate
CID 88906755

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylbenzamide;3,4-dimethylbenzoyl chloride;methane?
The IUPAC name of 3,4-dimethylbenzamide;3,4-dimethylbenzoyl chloride;methane (CID 159802984) is 3,4-dimethylbenzamide;3,4-dimethylbenzoyl chloride;methane.
What is the SMILES notation for 3,4-dimethylbenzamide;3,4-dimethylbenzoyl chloride;methane?
The canonical SMILES for 3,4-dimethylbenzamide;3,4-dimethylbenzoyl chloride;methane is C.Cc1ccc(C(=O)Cl)cc1C.Cc1ccc(C(N)=O)cc1C.
What is the InChIKey of 3,4-dimethylbenzamide;3,4-dimethylbenzoyl chloride;methane?
The InChIKey is NKAMAUBVBLTDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO.C9H11NO.CH4/c2*1-6-3-4-8(9(10)11)5-7(6)2;/h3-5H,1-2H3;3-5H,1-2H3,(H2,10,11);1H4.
What are the key properties of 3,4-dimethylbenzamide;3,4-dimethylbenzoyl chloride;methane?
3,4-dimethylbenzamide;3,4-dimethylbenzoyl chloride;methane has a molecular weight of 333.86 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylbenzamide;3,4-dimethylbenzoyl chloride;methane is sourced from PubChem (CID 159802984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).