2-(3,4-difluorophenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-methylacetamide

C21H22F2N2O4 — CID 78834446

IUPAC2-(3,4-difluorophenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-methylacetamide
SMILESC=CCc1ccc(OCC(=O)NC(C(=O)NC)c2ccc(F)c(F)c2)c(OC)c1
InChIInChI=1S/C21H22F2N2O4/c1-4-5-13-6-9-17(18(10-13)28-3)29-12-19(26)25-20(21(27)24-2)14-7-8-15(22)16(23)11-14/h4,6-11,20H,1,5,12H2,2-3H3,(H,24,27)(H,25,26)
InChIKeyFPPLIEGIJVVMRE-UHFFFAOYSA-N
MW404.41 g/mol
LogP2.68
Rot. Bonds9

About 2-(3,4-difluorophenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-methylacetamide

2-(3,4-difluorophenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-methylacetamide (PubChem CID 78834446) has the molecular formula C21H22F2N2O4 and a molecular weight of 404.41 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-methylacetamide
PubChem CID78834446
Molecular FormulaC21H22F2N2O4
Molecular Weight404.41 g/mol
Exact Mass404.15
IUPAC Name2-(3,4-difluorophenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-methylacetamide
SMILESC=CCc1ccc(OCC(=O)NC(C(=O)NC)c2ccc(F)c(F)c2)c(OC)c1
InChIInChI=1S/C21H22F2N2O4/c1-4-5-13-6-9-17(18(10-13)28-3)29-12-19(26)25-20(21(27)24-2)14-7-8-15(22)16(23)11-14/h4,6-11,20H,1,5,12H2,2-3H3,(H,24,27)(H,25,26)
InChIKeyFPPLIEGIJVVMRE-UHFFFAOYSA-N
XLogP2.68
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(4-chlorophenyl)-3-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]propanoic acid
CID 2526838
4-(4-acetyl-2-methoxyphenoxy)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]butanamide
CID 55790441
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 134051712
N-benzhydryl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 7714022
2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
N-(1-amino-4-methylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 119586257
2-(3,4-difluorophenyl)-2-[[2-(4-iodophenoxy)acetyl]amino]-N-methylacetamide
CID 55502598
N-(1-amino-4-methylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide;hydrochloride
CID 119586256
N-[cyclopropyl-(4-methylphenyl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 24582522
N-(4-ethoxyphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26915649
N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18084333
2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
CID 55790872

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-methylacetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-methylacetamide (CID 78834446) is 2-(3,4-difluorophenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-methylacetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-methylacetamide is C=CCc1ccc(OCC(=O)NC(C(=O)NC)c2ccc(F)c(F)c2)c(OC)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-methylacetamide?
The InChIKey is FPPLIEGIJVVMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O4/c1-4-5-13-6-9-17(18(10-13)28-3)29-12-19(26)25-20(21(27)24-2)14-7-8-15(22)16(23)11-14/h4,6-11,20H,1,5,12H2,2-3H3,(H,24,27)(H,25,26).
What are the key properties of 2-(3,4-difluorophenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-methylacetamide?
2-(3,4-difluorophenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-methylacetamide has a molecular weight of 404.41 g/mol, XLogP of 2.68, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-methylacetamide is sourced from PubChem (CID 78834446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).