2-(3-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide

C18H19ClN2O2 — CID 54809113

IUPAC2-(3-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
SMILESC=C(C)COc1cccc(NC(=O)CNc2cccc(Cl)c2)c1
InChIInChI=1S/C18H19ClN2O2/c1-13(2)12-23-17-8-4-7-16(10-17)21-18(22)11-20-15-6-3-5-14(19)9-15/h3-10,20H,1,11-12H2,2H3,(H,21,22)
InChIKeyZSCWKRYCYLADBA-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.35
Rot. Bonds7

About 2-(3-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide

2-(3-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide (PubChem CID 54809113) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-(3-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
PubChem CID54809113
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name2-(3-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
SMILESC=C(C)COc1cccc(NC(=O)CNc2cccc(Cl)c2)c1
InChIInChI=1S/C18H19ClN2O2/c1-13(2)12-23-17-8-4-7-16(10-17)21-18(22)11-20-15-6-3-5-14(19)9-15/h3-10,20H,1,11-12H2,2H3,(H,21,22)
InChIKeyZSCWKRYCYLADBA-UHFFFAOYSA-N
XLogP4.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.35
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-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54810204
N-(3-methoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825899
2-(3-ethoxyanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54826557
2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54824411
1-(3-chlorophenyl)-3-[3-(2-methylprop-2-enoxy)phenyl]urea
CID 17122466
N-[3-(2-methylprop-2-enoxy)phenyl]-2-(3-propoxyanilino)acetamide
CID 54824758
N-(2-chlorophenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825963
N-(3-chloro-2-methylphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825731
N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822286
N-(3-methoxyphenyl)-2-[4-(2-methylprop-2-enoxy)anilino]acetamide
CID 54824578
3-chloro-N-[3-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17122474
N-(4-butoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825836

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide?
The IUPAC name of 2-(3-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide (CID 54809113) is 2-(3-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide?
The canonical SMILES for 2-(3-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide is C=C(C)COc1cccc(NC(=O)CNc2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide?
The InChIKey is ZSCWKRYCYLADBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-13(2)12-23-17-8-4-7-16(10-17)21-18(22)11-20-15-6-3-5-14(19)9-15/h3-10,20H,1,11-12H2,2H3,(H,21,22).
What are the key properties of 2-(3-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide?
2-(3-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide has a molecular weight of 330.82 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide is sourced from PubChem (CID 54809113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).