3-chloro-2,5-dimethylbenzamide

C9H10ClNO — CID 171008035

IUPAC3-chloro-2,5-dimethylbenzamide
SMILESCc1cc(Cl)c(C)c(C(N)=O)c1
InChIInChI=1S/C9H10ClNO/c1-5-3-7(9(11)12)6(2)8(10)4-5/h3-4H,1-2H3,(H2,11,12)
InChIKeyMPZSCNPZZUVQQO-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.06
Rot. Bonds1

About 3-chloro-2,5-dimethylbenzamide

3-chloro-2,5-dimethylbenzamide (PubChem CID 171008035) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 3-chloro-2,5-dimethylbenzamide.

Molecular Properties

Compound Name3-chloro-2,5-dimethylbenzamide
PubChem CID171008035
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name3-chloro-2,5-dimethylbenzamide
SMILESCc1cc(Cl)c(C)c(C(N)=O)c1
InChIInChI=1S/C9H10ClNO/c1-5-3-7(9(11)12)6(2)8(10)4-5/h3-4H,1-2H3,(H2,11,12)
InChIKeyMPZSCNPZZUVQQO-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

bis(3-chloro-2,5-dimethylphenyl)methanone
CID 139698512
3-hydroxy-2,5-dimethylbenzamide
CID 119002669
3-chloro-2-methyl-5-sulfamoylbenzamide
CID 107100898
3-bromo-2-chloro-5-methylbenzamide
CID 131538692
2,5-dimethyl-3-nitrobenzamide
CID 119008464
5-chloro-2,4-dimethylbenzamide
CID 82551019
3-amino-2-hydroxy-5-methylbenzamide
CID 59564180
5-bromo-3-chloro-2-methylbenzoyl chloride
CID 171032785
5-amino-2-(2-chloro-4-methylphenoxy)benzamide
CID 62671488
3-chloro-2-iodo-5-methylbenzoyl chloride
CID 171003452
(3-chloro-2,5-dimethylphenyl) acetate
CID 175455570
1-(3-chloro-2-iodo-5-methylphenyl)ethanone
CID 171003947

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,5-dimethylbenzamide?
The IUPAC name of 3-chloro-2,5-dimethylbenzamide (CID 171008035) is 3-chloro-2,5-dimethylbenzamide.
What is the SMILES notation for 3-chloro-2,5-dimethylbenzamide?
The canonical SMILES for 3-chloro-2,5-dimethylbenzamide is Cc1cc(Cl)c(C)c(C(N)=O)c1.
What is the InChIKey of 3-chloro-2,5-dimethylbenzamide?
The InChIKey is MPZSCNPZZUVQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-5-3-7(9(11)12)6(2)8(10)4-5/h3-4H,1-2H3,(H2,11,12).
What are the key properties of 3-chloro-2,5-dimethylbenzamide?
3-chloro-2,5-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 3-chloro-2,5-dimethylbenzamide is sourced from PubChem (CID 171008035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).