2-(3-chloro-4-methoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide

C18H19ClN2O3 — CID 54819132

IUPAC2-(3-chloro-4-methoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccccc1NC(=O)CNc1ccc(OC)c(Cl)c1
InChIInChI=1S/C18H19ClN2O3/c1-3-10-24-17-7-5-4-6-15(17)21-18(22)12-20-13-8-9-16(23-2)14(19)11-13/h3-9,11,20H,1,10,12H2,2H3,(H,21,22)
InChIKeyYKHICVYOYQWPDW-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.96
Rot. Bonds8

About 2-(3-chloro-4-methoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide

2-(3-chloro-4-methoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide (PubChem CID 54819132) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide
PubChem CID54819132
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name2-(3-chloro-4-methoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccccc1NC(=O)CNc1ccc(OC)c(Cl)c1
InChIInChI=1S/C18H19ClN2O3/c1-3-10-24-17-7-5-4-6-15(17)21-18(22)12-20-13-8-9-16(23-2)14(19)11-13/h3-9,11,20H,1,10,12H2,2H3,(H,21,22)
InChIKeyYKHICVYOYQWPDW-UHFFFAOYSA-N
XLogP3.96
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloroanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54810176
N-(3-chloro-4-methylphenyl)-2-(2-prop-2-enoxyanilino)acetamide
CID 54824696
2-(4-bromoanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54811194
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide
CID 42026868
N-(3-chloro-4-methoxyphenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955393
2-[4-(2-phenoxyethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide
CID 54822803
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
2-(3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide
CID 9101796
2-(tert-butylamino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54813857
2-(3-hexoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54823386
N-(2-butoxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821544
N-methyl-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824363

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide?
The IUPAC name of 2-(3-chloro-4-methoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide (CID 54819132) is 2-(3-chloro-4-methoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide is C=CCOc1ccccc1NC(=O)CNc1ccc(OC)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-methoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide?
The InChIKey is YKHICVYOYQWPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-3-10-24-17-7-5-4-6-15(17)21-18(22)12-20-13-8-9-16(23-2)14(19)11-13/h3-9,11,20H,1,10,12H2,2H3,(H,21,22).
What are the key properties of 2-(3-chloro-4-methoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide?
2-(3-chloro-4-methoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide has a molecular weight of 346.81 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide is sourced from PubChem (CID 54819132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).