N-[3-(3,4-dichlorophenyl)prop-2-enyl]-2-[4-(methylamino)phenoxy]acetamide

C18H18Cl2N2O2 — CID 76762054

IUPACN-[3-(3,4-dichlorophenyl)prop-2-enyl]-2-[4-(methylamino)phenoxy]acetamide
SMILESCNc1ccc(OCC(=O)NCC=Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-21-14-5-7-15(8-6-14)24-12-18(23)22-10-2-3-13-4-9-16(19)17(20)11-13/h2-9,11,21H,10,12H2,1H3,(H,22,23)
InChIKeyGDXKGUKSEKOAPP-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.24
Rot. Bonds7

About N-[3-(3,4-dichlorophenyl)prop-2-enyl]-2-[4-(methylamino)phenoxy]acetamide

N-[3-(3,4-dichlorophenyl)prop-2-enyl]-2-[4-(methylamino)phenoxy]acetamide (PubChem CID 76762054) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is N-[3-(3,4-dichlorophenyl)prop-2-enyl]-2-[4-(methylamino)phenoxy]acetamide.

Molecular Properties

Compound NameN-[3-(3,4-dichlorophenyl)prop-2-enyl]-2-[4-(methylamino)phenoxy]acetamide
PubChem CID76762054
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC NameN-[3-(3,4-dichlorophenyl)prop-2-enyl]-2-[4-(methylamino)phenoxy]acetamide
SMILESCNc1ccc(OCC(=O)NCC=Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-21-14-5-7-15(8-6-14)24-12-18(23)22-10-2-3-13-4-9-16(19)17(20)11-13/h2-9,11,21H,10,12H2,1H3,(H,22,23)
InChIKeyGDXKGUKSEKOAPP-UHFFFAOYSA-N
XLogP4.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetamidophenoxy)-N-(3,4-dichlorophenyl)acetamide
CID 1296256
N-[2-(3,4-dichlorophenyl)sulfanylethyl]-2-[4-(methylamino)phenoxy]acetamide
CID 58328954
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 19182388
methyl 2-[4-(3-acetamidoprop-1-enyl)phenoxy]acetate
CID 169466323
N-(3,4-dichlorophenyl)-2-(4-ethylphenoxy)acetamide
CID 706860
2-(4-acetamidophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7203488
(E)-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-4-(4-methylphenyl)but-3-enamide
CID 75464323
N'-[(E)-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide
CID 6877114
N-[4-[(2R)-3-[3-(3,4-dichlorophenyl)prop-2-enylamino]-2-hydroxypropoxy]phenyl]methanesulfonamide
CID 67252555
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide
CID 9316748
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 39819572

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dichlorophenyl)prop-2-enyl]-2-[4-(methylamino)phenoxy]acetamide?
The IUPAC name of N-[3-(3,4-dichlorophenyl)prop-2-enyl]-2-[4-(methylamino)phenoxy]acetamide (CID 76762054) is N-[3-(3,4-dichlorophenyl)prop-2-enyl]-2-[4-(methylamino)phenoxy]acetamide.
What is the SMILES notation for N-[3-(3,4-dichlorophenyl)prop-2-enyl]-2-[4-(methylamino)phenoxy]acetamide?
The canonical SMILES for N-[3-(3,4-dichlorophenyl)prop-2-enyl]-2-[4-(methylamino)phenoxy]acetamide is CNc1ccc(OCC(=O)NCC=Cc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[3-(3,4-dichlorophenyl)prop-2-enyl]-2-[4-(methylamino)phenoxy]acetamide?
The InChIKey is GDXKGUKSEKOAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-21-14-5-7-15(8-6-14)24-12-18(23)22-10-2-3-13-4-9-16(19)17(20)11-13/h2-9,11,21H,10,12H2,1H3,(H,22,23).
What are the key properties of N-[3-(3,4-dichlorophenyl)prop-2-enyl]-2-[4-(methylamino)phenoxy]acetamide?
N-[3-(3,4-dichlorophenyl)prop-2-enyl]-2-[4-(methylamino)phenoxy]acetamide has a molecular weight of 365.26 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dichlorophenyl)prop-2-enyl]-2-[4-(methylamino)phenoxy]acetamide is sourced from PubChem (CID 76762054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).