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

C18H19ClN2O2 — CID 54810416

IUPAC2-(2-chloroanilino)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
SMILESC=C(C)COc1ccccc1NC(=O)CNc1ccccc1Cl
InChIInChI=1S/C18H19ClN2O2/c1-13(2)12-23-17-10-6-5-9-16(17)21-18(22)11-20-15-8-4-3-7-14(15)19/h3-10,20H,1,11-12H2,2H3,(H,21,22)
InChIKeyIGPHROWYAHOZJF-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.35
Rot. Bonds7

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

2-(2-chloroanilino)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide (PubChem CID 54810416) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
PubChem CID54810416
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name2-(2-chloroanilino)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
SMILESC=C(C)COc1ccccc1NC(=O)CNc1ccccc1Cl
InChIInChI=1S/C18H19ClN2O2/c1-13(2)12-23-17-10-6-5-9-16(17)21-18(22)11-20-15-8-4-3-7-14(15)19/h3-10,20H,1,11-12H2,2H3,(H,21,22)
InChIKeyIGPHROWYAHOZJF-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

N-(2-chlorophenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825885
N-(2-methoxyphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54826050
2-[2-(2-methylprop-2-enoxy)anilino]-N-(2-phenylmethoxyphenyl)acetamide
CID 54825790
2-[2-(2-ethoxyethoxy)anilino]-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54827379
3-(2-chlorophenyl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide
CID 17179067
N-(2-chlorophenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825963
2-(2-chloroanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54810463
N-(3,4-dimethylphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825918
N-[2-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822255
2-(2-chloroanilino)-N-(2-phenoxyphenyl)acetamide
CID 9098717
2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide
CID 17113228
2-[2-(2-methylprop-2-enoxy)anilino]-N-(4-prop-2-enoxyphenyl)acetamide
CID 54825856

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide?
The IUPAC name of 2-(2-chloroanilino)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide (CID 54810416) is 2-(2-chloroanilino)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide?
The canonical SMILES for 2-(2-chloroanilino)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide is C=C(C)COc1ccccc1NC(=O)CNc1ccccc1Cl.
What is the InChIKey of 2-(2-chloroanilino)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide?
The InChIKey is IGPHROWYAHOZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-13(2)12-23-17-10-6-5-9-16(17)21-18(22)11-20-15-8-4-3-7-14(15)19/h3-10,20H,1,11-12H2,2H3,(H,21,22).
What are the key properties of 2-(2-chloroanilino)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide?
2-(2-chloroanilino)-N-[2-(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-(2-chloroanilino)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide is sourced from PubChem (CID 54810416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).