3,4-dichloro-5-methylbenzamide

C8H7Cl2NO — CID 121228378

IUPAC3,4-dichloro-5-methylbenzamide
SMILESCc1cc(C(N)=O)cc(Cl)c1Cl
InChIInChI=1S/C8H7Cl2NO/c1-4-2-5(8(11)12)3-6(9)7(4)10/h2-3H,1H3,(H2,11,12)
InChIKeyMNCSONARRRNYRT-UHFFFAOYSA-N
MW204.06 g/mol
LogP2.40
Rot. Bonds1

About 3,4-dichloro-5-methylbenzamide

3,4-dichloro-5-methylbenzamide (PubChem CID 121228378) has the molecular formula C8H7Cl2NO and a molecular weight of 204.06 g/mol. Its IUPAC name is 3,4-dichloro-5-methylbenzamide.

Molecular Properties

Compound Name3,4-dichloro-5-methylbenzamide
PubChem CID121228378
Molecular FormulaC8H7Cl2NO
Molecular Weight204.06 g/mol
Exact Mass202.99
IUPAC Name3,4-dichloro-5-methylbenzamide
SMILESCc1cc(C(N)=O)cc(Cl)c1Cl
InChIInChI=1S/C8H7Cl2NO/c1-4-2-5(8(11)12)3-6(9)7(4)10/h2-3H,1H3,(H2,11,12)
InChIKeyMNCSONARRRNYRT-UHFFFAOYSA-N
XLogP2.40
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.06
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-4-methylbenzamide;ethane
CID 162191867
3,5-dichloro-4-iodobenzamide
CID 50849721
3-hydroxy-4,5-dimethylbenzamide
CID 130882471
2,2,2-trichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone
CID 146005570
5-carbamoyl-2,3-dimethylbenzenesulfonyl chloride
CID 65368231
ethyl 3,4,5-trichlorobenzoate
CID 14692896
3-chloro-4-hydroxy-5-iodobenzamide
CID 101017736
2-chloro-6-methylpyridine-4-carboxamide
CID 59534429
3,5-dichloro-4-nitrobenzamide
CID 121228420
3,5-dichloro-4-[(2-methylphenyl)methoxy]benzamide
CID 91682780
4-bromo-3-iodo-5-methylbenzamide
CID 171033354
4-bromo-3-chloro-5-fluorobenzamide
CID 130977761

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-5-methylbenzamide?
The IUPAC name of 3,4-dichloro-5-methylbenzamide (CID 121228378) is 3,4-dichloro-5-methylbenzamide.
What is the SMILES notation for 3,4-dichloro-5-methylbenzamide?
The canonical SMILES for 3,4-dichloro-5-methylbenzamide is Cc1cc(C(N)=O)cc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-5-methylbenzamide?
The InChIKey is MNCSONARRRNYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO/c1-4-2-5(8(11)12)3-6(9)7(4)10/h2-3H,1H3,(H2,11,12).
What are the key properties of 3,4-dichloro-5-methylbenzamide?
3,4-dichloro-5-methylbenzamide has a molecular weight of 204.06 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-5-methylbenzamide is sourced from PubChem (CID 121228378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).