5-chloro-2,4-dimethylbenzamide

C9H10ClNO — CID 82551019

IUPAC5-chloro-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(N)=O)cc1Cl
InChIInChI=1S/C9H10ClNO/c1-5-3-6(2)8(10)4-7(5)9(11)12/h3-4H,1-2H3,(H2,11,12)
InChIKeyXJAWMXDMHURUBK-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.06
Rot. Bonds1

About 5-chloro-2,4-dimethylbenzamide

5-chloro-2,4-dimethylbenzamide (PubChem CID 82551019) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 5-chloro-2,4-dimethylbenzamide.

Molecular Properties

Compound Name5-chloro-2,4-dimethylbenzamide
PubChem CID82551019
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name5-chloro-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(N)=O)cc1Cl
InChIInChI=1S/C9H10ClNO/c1-5-3-6(2)8(10)4-7(5)9(11)12/h3-4H,1-2H3,(H2,11,12)
InChIKeyXJAWMXDMHURUBK-UHFFFAOYSA-N
XLogP2.06
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-4-iodo-2-methylbenzamide
CID 171003750
5-chloro-2,4-dimethylbenzoyl chloride
CID 82633624
4-chloro-5-iodo-2-methylbenzamide
CID 171003552
4-carbamoyl-2,5-dimethylbenzoic acid
CID 165441285
4-chloro-5-(2-hydroxyethyl)-2-methylbenzamide
CID 68604884
5-chloro-3-methylnaphthalene-2-carboxamide
CID 20773242
3-chloro-4-methylbenzamide;ethane
CID 162191867
4-fluoro-2,5-dimethylbenzamide
CID 119025196
2-amino-1-(4-chloro-2,5-dimethylphenyl)ethanone
CID 84774667
1,5-dichloro-2,4-dimethylbenzene
CID 4174838
sodium 4-chloro-2,5-dimethylbenzoate
CID 141218473
3-chloro-2,5-dimethylbenzamide
CID 171008035

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-dimethylbenzamide?
The IUPAC name of 5-chloro-2,4-dimethylbenzamide (CID 82551019) is 5-chloro-2,4-dimethylbenzamide.
What is the SMILES notation for 5-chloro-2,4-dimethylbenzamide?
The canonical SMILES for 5-chloro-2,4-dimethylbenzamide is Cc1cc(C)c(C(N)=O)cc1Cl.
What is the InChIKey of 5-chloro-2,4-dimethylbenzamide?
The InChIKey is XJAWMXDMHURUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-5-3-6(2)8(10)4-7(5)9(11)12/h3-4H,1-2H3,(H2,11,12).
What are the key properties of 5-chloro-2,4-dimethylbenzamide?
5-chloro-2,4-dimethylbenzamide has a molecular weight of 183.64 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-dimethylbenzamide is sourced from PubChem (CID 82551019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).