2-(2,5-dichloroanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide

C18H18Cl2N2O2 — CID 54819813

IUPAC2-(2,5-dichloroanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
SMILESC=C(C)COc1ccc(NC(=O)CNc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-12(2)11-24-15-6-4-14(5-7-15)22-18(23)10-21-17-9-13(19)3-8-16(17)20/h3-9,21H,1,10-11H2,2H3,(H,22,23)
InChIKeyHVYSDAOORIVQCM-UHFFFAOYSA-N
MW365.26 g/mol
LogP5.00
Rot. Bonds7

About 2-(2,5-dichloroanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide

2-(2,5-dichloroanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide (PubChem CID 54819813) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 2-(2,5-dichloroanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichloroanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
PubChem CID54819813
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name2-(2,5-dichloroanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
SMILESC=C(C)COc1ccc(NC(=O)CNc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-12(2)11-24-15-6-4-14(5-7-15)22-18(23)10-21-17-9-13(19)3-8-16(17)20/h3-9,21H,1,10-11H2,2H3,(H,22,23)
InChIKeyHVYSDAOORIVQCM-UHFFFAOYSA-N
XLogP5.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetamidophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7203488
2-(2,5-dichloroanilino)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 26417029
2-(2,5-dimethoxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54814050
N-[4-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54819782
2-(2-ethoxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54817171
2-(4-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54810204
N-(4-cyanophenyl)-2-(2,5-dichloroanilino)acetamide
CID 26416996
2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54824411
2-(3-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54809113
2-[2-chloro-5-(hydroxymethyl)anilino]-N-(4-ethoxyphenyl)acetamide
CID 110929606
N-tert-butyl-4-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide
CID 54819548
2-[(2-chlorophenyl)methylamino]-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54832705

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloroanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide?
The IUPAC name of 2-(2,5-dichloroanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide (CID 54819813) is 2-(2,5-dichloroanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2,5-dichloroanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide?
The canonical SMILES for 2-(2,5-dichloroanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide is C=C(C)COc1ccc(NC(=O)CNc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2-(2,5-dichloroanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide?
The InChIKey is HVYSDAOORIVQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-12(2)11-24-15-6-4-14(5-7-15)22-18(23)10-21-17-9-13(19)3-8-16(17)20/h3-9,21H,1,10-11H2,2H3,(H,22,23).
What are the key properties of 2-(2,5-dichloroanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide?
2-(2,5-dichloroanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide has a molecular weight of 365.26 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloroanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide is sourced from PubChem (CID 54819813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).