N-(2,4-dichlorophenyl)-2-(4-prop-2-enoxyanilino)acetamide

C17H16Cl2N2O2 — CID 54821175

IUPACN-(2,4-dichlorophenyl)-2-(4-prop-2-enoxyanilino)acetamide
SMILESC=CCOc1ccc(NCC(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-2-9-23-14-6-4-13(5-7-14)20-11-17(22)21-16-8-3-12(18)10-15(16)19/h2-8,10,20H,1,9,11H2,(H,21,22)
InChIKeyFXAOTIJAOGXGCD-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.61
Rot. Bonds7

About N-(2,4-dichlorophenyl)-2-(4-prop-2-enoxyanilino)acetamide

N-(2,4-dichlorophenyl)-2-(4-prop-2-enoxyanilino)acetamide (PubChem CID 54821175) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-(4-prop-2-enoxyanilino)acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-(4-prop-2-enoxyanilino)acetamide
PubChem CID54821175
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC NameN-(2,4-dichlorophenyl)-2-(4-prop-2-enoxyanilino)acetamide
SMILESC=CCOc1ccc(NCC(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-2-9-23-14-6-4-13(5-7-14)20-11-17(22)21-16-8-3-12(18)10-15(16)19/h2-8,10,20H,1,9,11H2,(H,21,22)
InChIKeyFXAOTIJAOGXGCD-UHFFFAOYSA-N
XLogP4.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-prop-2-enoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816702
N-(3,5-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821441
N-(3,4-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821243
2-(2,4-dichloroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 54811499
2-(3-chloro-4-fluoroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 26437681
2-(4-chloroanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54810176
N-(2-chloro-4-methylphenyl)-2-(4-ethoxyanilino)acetamide
CID 78792966
N-(2,4-dichlorophenyl)-3-(4-ethoxyanilino)propanamide
CID 109039968
N-methyl-2-(4-prop-2-enoxyanilino)acetamide
CID 54821477
N-(3-acetamidophenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821414
N-(2,4-dichlorophenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 2515961
N-(3-bromophenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821614

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-(4-prop-2-enoxyanilino)acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-(4-prop-2-enoxyanilino)acetamide (CID 54821175) is N-(2,4-dichlorophenyl)-2-(4-prop-2-enoxyanilino)acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-(4-prop-2-enoxyanilino)acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-(4-prop-2-enoxyanilino)acetamide is C=CCOc1ccc(NCC(=O)Nc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-(4-prop-2-enoxyanilino)acetamide?
The InChIKey is FXAOTIJAOGXGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-2-9-23-14-6-4-13(5-7-14)20-11-17(22)21-16-8-3-12(18)10-15(16)19/h2-8,10,20H,1,9,11H2,(H,21,22).
What are the key properties of N-(2,4-dichlorophenyl)-2-(4-prop-2-enoxyanilino)acetamide?
N-(2,4-dichlorophenyl)-2-(4-prop-2-enoxyanilino)acetamide has a molecular weight of 351.23 g/mol, XLogP of 4.61, 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)-2-(4-prop-2-enoxyanilino)acetamide is sourced from PubChem (CID 54821175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).