N-(3,5-dichlorophenyl)-3-(2-ethylanilino)propanamide

C17H18Cl2N2O — CID 109036245

IUPACN-(3,5-dichlorophenyl)-3-(2-ethylanilino)propanamide
SMILESCCc1ccccc1NCCC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H18Cl2N2O/c1-2-12-5-3-4-6-16(12)20-8-7-17(22)21-15-10-13(18)9-14(19)11-15/h3-6,9-11,20H,2,7-8H2,1H3,(H,21,22)
InChIKeyYCPZXGKWOKRSQL-UHFFFAOYSA-N
MW337.25 g/mol
LogP5.00
Rot. Bonds6

About N-(3,5-dichlorophenyl)-3-(2-ethylanilino)propanamide

N-(3,5-dichlorophenyl)-3-(2-ethylanilino)propanamide (PubChem CID 109036245) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-3-(2-ethylanilino)propanamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-3-(2-ethylanilino)propanamide
PubChem CID109036245
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC NameN-(3,5-dichlorophenyl)-3-(2-ethylanilino)propanamide
SMILESCCc1ccccc1NCCC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H18Cl2N2O/c1-2-12-5-3-4-6-16(12)20-8-7-17(22)21-15-10-13(18)9-14(19)11-15/h3-6,9-11,20H,2,7-8H2,1H3,(H,21,22)
InChIKeyYCPZXGKWOKRSQL-UHFFFAOYSA-N
XLogP5.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dimethylphenyl)-3-(2-ethylanilino)propanamide
CID 109035425
1-(3,5-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991481
N'-(3,5-dichlorophenyl)-N-(2-ethylphenyl)oxamide
CID 108530358
methyl 4-chloro-3-[3-(2-ethylanilino)propanoylamino]benzoate
CID 109036221
N-(3,5-dichlorophenyl)-3-(2,5-dimethylanilino)propanamide
CID 109035406
3-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109036212
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethylanilino)propanamide
CID 109036236
N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-ethylanilino)propanamide
CID 109036248
N-(3,5-dichlorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035918
N-(2,4-dimethylphenyl)-3-(2-ethylanilino)propanamide
CID 109035079
N-[(4-chlorophenyl)methyl]-3-(2-ethylanilino)propanamide
CID 109021695
N-(3-chlorophenyl)-3-(2-ethoxyanilino)propanamide
CID 109037963

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-3-(2-ethylanilino)propanamide?
The IUPAC name of N-(3,5-dichlorophenyl)-3-(2-ethylanilino)propanamide (CID 109036245) is N-(3,5-dichlorophenyl)-3-(2-ethylanilino)propanamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-3-(2-ethylanilino)propanamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-3-(2-ethylanilino)propanamide is CCc1ccccc1NCCC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-3-(2-ethylanilino)propanamide?
The InChIKey is YCPZXGKWOKRSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c1-2-12-5-3-4-6-16(12)20-8-7-17(22)21-15-10-13(18)9-14(19)11-15/h3-6,9-11,20H,2,7-8H2,1H3,(H,21,22).
What are the key properties of N-(3,5-dichlorophenyl)-3-(2-ethylanilino)propanamide?
N-(3,5-dichlorophenyl)-3-(2-ethylanilino)propanamide has a molecular weight of 337.25 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-3-(2-ethylanilino)propanamide is sourced from PubChem (CID 109036245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).