N-(2-chlorophenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide

C18H19ClN2O2 — CID 54825963

IUPACN-(2-chlorophenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
SMILESC=C(C)COc1cccc(NCC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C18H19ClN2O2/c1-13(2)12-23-15-7-5-6-14(10-15)20-11-18(22)21-17-9-4-3-8-16(17)19/h3-10,20H,1,11-12H2,2H3,(H,21,22)
InChIKeyRTPRWCAQWGBJRY-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.35
Rot. Bonds7

About N-(2-chlorophenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide

N-(2-chlorophenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide (PubChem CID 54825963) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
PubChem CID54825963
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-(2-chlorophenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
SMILESC=C(C)COc1cccc(NCC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C18H19ClN2O2/c1-13(2)12-23-15-7-5-6-14(10-15)20-11-18(22)21-17-9-4-3-8-16(17)19/h3-10,20H,1,11-12H2,2H3,(H,21,22)
InChIKeyRTPRWCAQWGBJRY-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-(3-chloro-2-methylphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825731
2-(3-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54809113
N-(2-chlorophenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825885
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
N-(2-chlorophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54825073
N-[2-(2-methylprop-2-enoxy)phenyl]-2-(3-phenylmethoxyanilino)acetamide
CID 54826701
2-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54811890
2-(2-chloroanilino)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54810416
2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54824411
N-[3-(2-methylprop-2-enoxy)phenyl]-2-(3-propoxyanilino)acetamide
CID 54824758

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide (CID 54825963) is N-(2-chlorophenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide is C=C(C)COc1cccc(NCC(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-(2-chlorophenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide?
The InChIKey is RTPRWCAQWGBJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-13(2)12-23-15-7-5-6-14(10-15)20-11-18(22)21-17-9-4-3-8-16(17)19/h3-10,20H,1,11-12H2,2H3,(H,21,22).
What are the key properties of N-(2-chlorophenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide?
N-(2-chlorophenyl)-2-[3-(2-methylprop-2-enoxy)anilino]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 N-(2-chlorophenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide is sourced from PubChem (CID 54825963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).