3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide

C17H18Cl2N2O — CID 109020669

IUPAC3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide
SMILESCN(CCC(=O)Nc1ccc(Cl)cc1Cl)Cc1ccccc1
InChIInChI=1S/C17H18Cl2N2O/c1-21(12-13-5-3-2-4-6-13)10-9-17(22)20-16-8-7-14(18)11-15(16)19/h2-8,11H,9-10,12H2,1H3,(H,20,22)
InChIKeyPDDQTIQTWJOBTF-UHFFFAOYSA-N
MW337.25 g/mol
LogP4.45
Rot. Bonds6

About 3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide

3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide (PubChem CID 109020669) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide
PubChem CID109020669
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC Name3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide
SMILESCN(CCC(=O)Nc1ccc(Cl)cc1Cl)Cc1ccccc1
InChIInChI=1S/C17H18Cl2N2O/c1-21(12-13-5-3-2-4-6-13)10-9-17(22)20-16-8-7-14(18)11-15(16)19/h2-8,11H,9-10,12H2,1H3,(H,20,22)
InChIKeyPDDQTIQTWJOBTF-UHFFFAOYSA-N
XLogP4.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[benzyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 109020666
3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide
CID 882844
N-(2,4-dichlorophenyl)-3-(N-ethylanilino)propanamide
CID 109036579
3-[acetyl(1-phenylethyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113119048
2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 27133915
3-[benzyl(methyl)amino]-N-(3-chlorophenyl)propanamide;oxalic acid
CID 171154533
3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
CID 109020660
3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 109020626
3-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]propanamide
CID 118607410
N-benzyl-3-(2,4-dichloroanilino)-N-methylpropanamide
CID 109020531
N'-benzyl-N-(2,4-dichlorophenyl)-N'-(2-hydroxyethyl)oxamide
CID 108502823
[2-(2,4-dichloroanilino)-2-oxoethyl] N,N-dibenzylcarbamodithioate
CID 11488359

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide?
The IUPAC name of 3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide (CID 109020669) is 3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide?
The canonical SMILES for 3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide is CN(CCC(=O)Nc1ccc(Cl)cc1Cl)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide?
The InChIKey is PDDQTIQTWJOBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c1-21(12-13-5-3-2-4-6-13)10-9-17(22)20-16-8-7-14(18)11-15(16)19/h2-8,11H,9-10,12H2,1H3,(H,20,22).
What are the key properties of 3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide?
3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide has a molecular weight of 337.25 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide is sourced from PubChem (CID 109020669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).