2-chloro-N,4-dimethylbenzamide;ethane

C11H16ClNO — CID 143942674

IUPAC2-chloro-N,4-dimethylbenzamide;ethane
SMILESCC.CNC(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C9H10ClNO.C2H6/c1-6-3-4-7(8(10)5-6)9(12)11-2;1-2/h3-5H,1-2H3,(H,11,12);1-2H3
InChIKeyILUFOKSSFDYWSV-UHFFFAOYSA-N
MW213.71 g/mol
LogP3.03
Rot. Bonds1

About 2-chloro-N,4-dimethylbenzamide;ethane

2-chloro-N,4-dimethylbenzamide;ethane (PubChem CID 143942674) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-chloro-N,4-dimethylbenzamide;ethane.

Molecular Properties

Compound Name2-chloro-N,4-dimethylbenzamide;ethane
PubChem CID143942674
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-chloro-N,4-dimethylbenzamide;ethane
SMILESCC.CNC(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C9H10ClNO.C2H6/c1-6-3-4-7(8(10)5-6)9(12)11-2;1-2/h3-5H,1-2H3,(H,11,12);1-2H3
InChIKeyILUFOKSSFDYWSV-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-(6-bromohexyl)-2-chloro-4-methylbenzamide
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2-chloro-N-(4-cyanophenyl)-4-methylbenzamide
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N-[(2-aminophenyl)methyl]-2-chloro-4-methylbenzamide
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2-chloro-N-(2-iodophenyl)-4-methylbenzamide
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2-chloro-N-(4-chlorobutan-2-yl)-4-methylbenzamide
CID 106863994
(2R)-2-[(2-chloro-4-methylbenzoyl)amino]-3-methylbutanoic acid
CID 106860616
2-chloro-4-methyl-N-pentylbenzamide
CID 99835956
4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967456
N-(2-aminopropyl)-2-chloro-4-methylbenzamide
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4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 47299820

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,4-dimethylbenzamide;ethane?
The IUPAC name of 2-chloro-N,4-dimethylbenzamide;ethane (CID 143942674) is 2-chloro-N,4-dimethylbenzamide;ethane.
What is the SMILES notation for 2-chloro-N,4-dimethylbenzamide;ethane?
The canonical SMILES for 2-chloro-N,4-dimethylbenzamide;ethane is CC.CNC(=O)c1ccc(C)cc1Cl.
What is the InChIKey of 2-chloro-N,4-dimethylbenzamide;ethane?
The InChIKey is ILUFOKSSFDYWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO.C2H6/c1-6-3-4-7(8(10)5-6)9(12)11-2;1-2/h3-5H,1-2H3,(H,11,12);1-2H3.
What are the key properties of 2-chloro-N,4-dimethylbenzamide;ethane?
2-chloro-N,4-dimethylbenzamide;ethane has a molecular weight of 213.71 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,4-dimethylbenzamide;ethane is sourced from PubChem (CID 143942674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).