3-chloro-4-methylbenzamide;ethane

C10H14ClNO — CID 162191867

IUPAC3-chloro-4-methylbenzamide;ethane
SMILESCC.Cc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C8H8ClNO.C2H6/c1-5-2-3-6(8(10)11)4-7(5)9;1-2/h2-4H,1H3,(H2,10,11);1-2H3
InChIKeyZQKIMCWBEXYREB-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.77
Rot. Bonds1

About 3-chloro-4-methylbenzamide;ethane

3-chloro-4-methylbenzamide;ethane (PubChem CID 162191867) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 3-chloro-4-methylbenzamide;ethane.

Molecular Properties

Compound Name3-chloro-4-methylbenzamide;ethane
PubChem CID162191867
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name3-chloro-4-methylbenzamide;ethane
SMILESCC.Cc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C8H8ClNO.C2H6/c1-5-2-3-6(8(10)11)4-7(5)9;1-2/h2-4H,1H3,(H2,10,11);1-2H3
InChIKeyZQKIMCWBEXYREB-UHFFFAOYSA-N
XLogP2.77
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-1-(3-chloro-4-methylphenyl)ethanone
CID 65179796
1-(3-chloro-4-methylphenyl)propane-1,2-dione
CID 82125872
3-chloro-4-hydroxybenzamide
CID 22932347
4-chloro-3-[(3-chloro-4-methylphenyl)methylamino]benzamide
CID 106816294
3-amino-1-(3-chloro-4-methylphenyl)propan-1-one
CID 107561222
3-chloro-4-iodobenzamide
CID 94675118
3,4-dichloro-5-methylbenzamide
CID 121228378
4-methyl-3-phosphanylbenzamide
CID 142140528
3,4-dimethylbenzamide;3,4-dimethylbenzoyl chloride;methane
CID 159802984
1-(3-chloro-4-methylphenyl)-2,2-difluoroethanone
CID 91658558
(3-amino-3-oxopropyl) 3-chloro-4-methylbenzoate
CID 71908061
ethyl 2-(3-chloro-4-methylphenyl)-2-oxoacetate
CID 24722247

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methylbenzamide;ethane?
The IUPAC name of 3-chloro-4-methylbenzamide;ethane (CID 162191867) is 3-chloro-4-methylbenzamide;ethane.
What is the SMILES notation for 3-chloro-4-methylbenzamide;ethane?
The canonical SMILES for 3-chloro-4-methylbenzamide;ethane is CC.Cc1ccc(C(N)=O)cc1Cl.
What is the InChIKey of 3-chloro-4-methylbenzamide;ethane?
The InChIKey is ZQKIMCWBEXYREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO.C2H6/c1-5-2-3-6(8(10)11)4-7(5)9;1-2/h2-4H,1H3,(H2,10,11);1-2H3.
What are the key properties of 3-chloro-4-methylbenzamide;ethane?
3-chloro-4-methylbenzamide;ethane has a molecular weight of 199.68 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methylbenzamide;ethane is sourced from PubChem (CID 162191867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).