N-(2,4-dichlorophenyl)-3-(N-ethylanilino)propanamide

C17H18Cl2N2O — CID 109036579

IUPACN-(2,4-dichlorophenyl)-3-(N-ethylanilino)propanamide
SMILESCCN(CCC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C17H18Cl2N2O/c1-2-21(14-6-4-3-5-7-14)11-10-17(22)20-16-9-8-13(18)12-15(16)19/h3-9,12H,2,10-11H2,1H3,(H,20,22)
InChIKeyRXZWKLCVGBABMK-UHFFFAOYSA-N
MW337.25 g/mol
LogP4.85
Rot. Bonds6

About N-(2,4-dichlorophenyl)-3-(N-ethylanilino)propanamide

N-(2,4-dichlorophenyl)-3-(N-ethylanilino)propanamide (PubChem CID 109036579) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-3-(N-ethylanilino)propanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-3-(N-ethylanilino)propanamide
PubChem CID109036579
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC NameN-(2,4-dichlorophenyl)-3-(N-ethylanilino)propanamide
SMILESCCN(CCC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C17H18Cl2N2O/c1-2-21(14-6-4-3-5-7-14)11-10-17(22)20-16-9-8-13(18)12-15(16)19/h3-9,12H,2,10-11H2,1H3,(H,20,22)
InChIKeyRXZWKLCVGBABMK-UHFFFAOYSA-N
XLogP4.85
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 ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide
CID 109036576
3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 109020669
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide
CID 109036553
N-(4-bromo-2-methylphenyl)-3-(N-ethylanilino)propanamide
CID 109036567
3-(2,4-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108991553
N-(2,4-dichlorophenyl)-2-[[2-(N-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 26599527
N-(2,5-dichlorophenyl)-3-(N-methylanilino)propanamide
CID 51654070
3-[acetyl(propyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113115094
3-[acetyl(1-phenylethyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113119048
N-(2-cyanophenyl)-3-(N-ethylanilino)propanamide
CID 43824183
N-(2,4-dichlorophenyl)propanamide
CID 923083
1-butyl-3-(2,4-dichlorophenyl)-1-phenylurea
CID 51062904

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-3-(N-ethylanilino)propanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-3-(N-ethylanilino)propanamide (CID 109036579) is N-(2,4-dichlorophenyl)-3-(N-ethylanilino)propanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-3-(N-ethylanilino)propanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-3-(N-ethylanilino)propanamide is CCN(CCC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-3-(N-ethylanilino)propanamide?
The InChIKey is RXZWKLCVGBABMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c1-2-21(14-6-4-3-5-7-14)11-10-17(22)20-16-9-8-13(18)12-15(16)19/h3-9,12H,2,10-11H2,1H3,(H,20,22).
What are the key properties of N-(2,4-dichlorophenyl)-3-(N-ethylanilino)propanamide?
N-(2,4-dichlorophenyl)-3-(N-ethylanilino)propanamide has a molecular weight of 337.25 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-3-(N-ethylanilino)propanamide is sourced from PubChem (CID 109036579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).