3-(2,4-dichlorophenyl)-N-methylpropanamide

C10H11Cl2NO — CID 60731277

IUPAC3-(2,4-dichlorophenyl)-N-methylpropanamide
SMILESCNC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2NO/c1-13-10(14)5-3-7-2-4-8(11)6-9(7)12/h2,4,6H,3,5H2,1H3,(H,13,14)
InChIKeyJTDUNDIFSLTJTH-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.67
Rot. Bonds3

About 3-(2,4-dichlorophenyl)-N-methylpropanamide

3-(2,4-dichlorophenyl)-N-methylpropanamide (PubChem CID 60731277) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-methylpropanamide
PubChem CID60731277
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name3-(2,4-dichlorophenyl)-N-methylpropanamide
SMILESCNC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2NO/c1-13-10(14)5-3-7-2-4-8(11)6-9(7)12/h2,4,6H,3,5H2,1H3,(H,13,14)
InChIKeyJTDUNDIFSLTJTH-UHFFFAOYSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120830392
1-chloro-4-(2,4-dichlorophenyl)butan-2-one
CID 20507775
3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
CID 115869909
N-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride
CID 119408221
3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide
CID 94001130
(2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-3,3-dimethylbutanoic acid
CID 103926441
3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide
CID 111447770
3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 100605551
3-(2,4-dichlorophenyl)-N-(2-methylsulfanylphenyl)propanamide
CID 100606765
N-(3-acetylphenyl)-3-(2,4-dichlorophenyl)propanamide
CID 100606597
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dichlorophenyl)propanamide
CID 119608340
3-(2,4-dichlorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115764583

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-methylpropanamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-methylpropanamide (CID 60731277) is 3-(2,4-dichlorophenyl)-N-methylpropanamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-methylpropanamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-methylpropanamide is CNC(=O)CCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-methylpropanamide?
The InChIKey is JTDUNDIFSLTJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c1-13-10(14)5-3-7-2-4-8(11)6-9(7)12/h2,4,6H,3,5H2,1H3,(H,13,14).
What are the key properties of 3-(2,4-dichlorophenyl)-N-methylpropanamide?
3-(2,4-dichlorophenyl)-N-methylpropanamide has a molecular weight of 232.11 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-methylpropanamide is sourced from PubChem (CID 60731277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).