2-(4-chloroanilino)-N-(2-prop-2-enoxyphenyl)acetamide

C17H17ClN2O2 — CID 54810176

IUPAC2-(4-chloroanilino)-N-(2-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccccc1NC(=O)CNc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O2/c1-2-11-22-16-6-4-3-5-15(16)20-17(21)12-19-14-9-7-13(18)8-10-14/h2-10,19H,1,11-12H2,(H,20,21)
InChIKeyCTSVVMZFDUENIH-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.96
Rot. Bonds7

About 2-(4-chloroanilino)-N-(2-prop-2-enoxyphenyl)acetamide

2-(4-chloroanilino)-N-(2-prop-2-enoxyphenyl)acetamide (PubChem CID 54810176) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-(2-prop-2-enoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-(2-prop-2-enoxyphenyl)acetamide
PubChem CID54810176
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name2-(4-chloroanilino)-N-(2-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccccc1NC(=O)CNc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O2/c1-2-11-22-16-6-4-3-5-15(16)20-17(21)12-19-14-9-7-13(18)8-10-14/h2-10,19H,1,11-12H2,(H,20,21)
InChIKeyCTSVVMZFDUENIH-UHFFFAOYSA-N
XLogP3.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.96
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-bromoanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54811194
2-[4-(2-phenoxyethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide
CID 54822803
2-(3-chloro-4-methoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54819132
2-(2-fluoroanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54818330
N-(2-butoxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821544
N-(3-chloro-4-methylphenyl)-2-(2-prop-2-enoxyanilino)acetamide
CID 54824696
2-(tert-butylamino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54813857
N-(2-propan-2-yloxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821181
N-[2-(3-phenylpropoxy)phenyl]-2-(4-prop-2-enoxyanilino)acetamide
CID 54821479
N-[4-(2-phenoxyethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide
CID 54824592
N-(2,4-dichlorophenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821175
2-(propan-2-ylamino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54817694

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-(2-prop-2-enoxyphenyl)acetamide?
The IUPAC name of 2-(4-chloroanilino)-N-(2-prop-2-enoxyphenyl)acetamide (CID 54810176) is 2-(4-chloroanilino)-N-(2-prop-2-enoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-(2-prop-2-enoxyphenyl)acetamide?
The canonical SMILES for 2-(4-chloroanilino)-N-(2-prop-2-enoxyphenyl)acetamide is C=CCOc1ccccc1NC(=O)CNc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloroanilino)-N-(2-prop-2-enoxyphenyl)acetamide?
The InChIKey is CTSVVMZFDUENIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-2-11-22-16-6-4-3-5-15(16)20-17(21)12-19-14-9-7-13(18)8-10-14/h2-10,19H,1,11-12H2,(H,20,21).
What are the key properties of 2-(4-chloroanilino)-N-(2-prop-2-enoxyphenyl)acetamide?
2-(4-chloroanilino)-N-(2-prop-2-enoxyphenyl)acetamide has a molecular weight of 316.79 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-N-(2-prop-2-enoxyphenyl)acetamide is sourced from PubChem (CID 54810176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).