2-(5-chloro-2-methoxyanilino)-N-prop-2-enylacetamide

C12H15ClN2O2 — CID 108992972

IUPAC2-(5-chloro-2-methoxyanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNc1cc(Cl)ccc1OC
InChIInChI=1S/C12H15ClN2O2/c1-3-6-14-12(16)8-15-10-7-9(13)4-5-11(10)17-2/h3-5,7,15H,1,6,8H2,2H3,(H,14,16)
InChIKeyRZJPDELLZXFFLV-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.06
Rot. Bonds6

About 2-(5-chloro-2-methoxyanilino)-N-prop-2-enylacetamide

2-(5-chloro-2-methoxyanilino)-N-prop-2-enylacetamide (PubChem CID 108992972) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyanilino)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyanilino)-N-prop-2-enylacetamide
PubChem CID108992972
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-(5-chloro-2-methoxyanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNc1cc(Cl)ccc1OC
InChIInChI=1S/C12H15ClN2O2/c1-3-6-14-12(16)8-15-10-7-9(13)4-5-11(10)17-2/h3-5,7,15H,1,6,8H2,2H3,(H,14,16)
InChIKeyRZJPDELLZXFFLV-UHFFFAOYSA-N
XLogP2.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.06
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-butan-2-yl-2-(5-chloro-2-methoxyanilino)acetamide
CID 43179785
2-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)acetamide
CID 26417313
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 7694831
2-(5-chloro-2-methoxyanilino)-N-(2,4-dichlorophenyl)acetamide
CID 9099077
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368
2-(5-chloro-2-methoxyanilino)-N,N-dimethylacetamide
CID 28578226
2-(5-chloro-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 109008882
2-(5-chloro-2-methoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 109008877
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 26417292
[2-oxo-2-(prop-2-enylamino)ethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 55308886
N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)acetamide
CID 9105369
N-[(2,4-dichlorophenyl)methyl]-2-(2-methoxyanilino)acetamide
CID 9345203

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-prop-2-enylacetamide?
The IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-prop-2-enylacetamide (CID 108992972) is 2-(5-chloro-2-methoxyanilino)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyanilino)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(5-chloro-2-methoxyanilino)-N-prop-2-enylacetamide is C=CCNC(=O)CNc1cc(Cl)ccc1OC.
What is the InChIKey of 2-(5-chloro-2-methoxyanilino)-N-prop-2-enylacetamide?
The InChIKey is RZJPDELLZXFFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-3-6-14-12(16)8-15-10-7-9(13)4-5-11(10)17-2/h3-5,7,15H,1,6,8H2,2H3,(H,14,16).
What are the key properties of 2-(5-chloro-2-methoxyanilino)-N-prop-2-enylacetamide?
2-(5-chloro-2-methoxyanilino)-N-prop-2-enylacetamide has a molecular weight of 254.72 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyanilino)-N-prop-2-enylacetamide is sourced from PubChem (CID 108992972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).