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

C17H18Cl2N2O2 — CID 109039968

IUPACN-(2,4-dichlorophenyl)-3-(4-ethoxyanilino)propanamide
SMILESCCOc1ccc(NCCC(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H18Cl2N2O2/c1-2-23-14-6-4-13(5-7-14)20-10-9-17(22)21-16-8-3-12(18)11-15(16)19/h3-8,11,20H,2,9-10H2,1H3,(H,21,22)
InChIKeyZNRLQAORQYDLBP-UHFFFAOYSA-N
MW353.25 g/mol
LogP4.83
Rot. Bonds7

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

N-(2,4-dichlorophenyl)-3-(4-ethoxyanilino)propanamide (PubChem CID 109039968) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-3-(4-ethoxyanilino)propanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-3-(4-ethoxyanilino)propanamide
PubChem CID109039968
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC NameN-(2,4-dichlorophenyl)-3-(4-ethoxyanilino)propanamide
SMILESCCOc1ccc(NCCC(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H18Cl2N2O2/c1-2-23-14-6-4-13(5-7-14)20-10-9-17(22)21-16-8-3-12(18)11-15(16)19/h3-8,11,20H,2,9-10H2,1H3,(H,21,22)
InChIKeyZNRLQAORQYDLBP-UHFFFAOYSA-N
XLogP4.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[[3-(2,4-dichloroanilino)-3-oxopropyl]amino]benzoate
CID 109042450
3-(4-bromoanilino)-N-(2,4-dichlorophenyl)propanamide
CID 109039266
N-(3-chloro-4-methylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109038619
N-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109035105
3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide
CID 109038041
N-(2-chloro-4-methylphenyl)-2-(4-ethoxyanilino)acetamide
CID 78792966
N-(4-bromo-2-methylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109039955
N-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109035452
3-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039023
N-(2,4-dichlorophenyl)-4-(4-ethylphenoxy)butanamide
CID 19176294
3-(2,6-dichloroanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039909
N-(2,4-dichlorophenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821175

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-3-(4-ethoxyanilino)propanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-3-(4-ethoxyanilino)propanamide (CID 109039968) is N-(2,4-dichlorophenyl)-3-(4-ethoxyanilino)propanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-3-(4-ethoxyanilino)propanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-3-(4-ethoxyanilino)propanamide is CCOc1ccc(NCCC(=O)Nc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-3-(4-ethoxyanilino)propanamide?
The InChIKey is ZNRLQAORQYDLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c1-2-23-14-6-4-13(5-7-14)20-10-9-17(22)21-16-8-3-12(18)11-15(16)19/h3-8,11,20H,2,9-10H2,1H3,(H,21,22).
What are the key properties of N-(2,4-dichlorophenyl)-3-(4-ethoxyanilino)propanamide?
N-(2,4-dichlorophenyl)-3-(4-ethoxyanilino)propanamide has a molecular weight of 353.25 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-3-(4-ethoxyanilino)propanamide is sourced from PubChem (CID 109039968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).