N,N'-bis(2-fluorophenyl)-2-[(3-methoxy-4-propoxyphenyl)methylidene]propanediamide

C26H24F2N2O4 — CID 27131162

IUPACN,N'-bis(2-fluorophenyl)-2-[(3-methoxy-4-propoxyphenyl)methylidene]propanediamide
SMILESCCCOc1ccc(C=C(C(=O)Nc2ccccc2F)C(=O)Nc2ccccc2F)cc1OC
InChIInChI=1S/C26H24F2N2O4/c1-3-14-34-23-13-12-17(16-24(23)33-2)15-18(25(31)29-21-10-6-4-8-19(21)27)26(32)30-22-11-7-5-9-20(22)28/h4-13,15-16H,3,14H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyQMSGUBNDGXIXRK-UHFFFAOYSA-N
MW466.48 g/mol
LogP5.42
Rot. Bonds9

About N,N'-bis(2-fluorophenyl)-2-[(3-methoxy-4-propoxyphenyl)methylidene]propanediamide

N,N'-bis(2-fluorophenyl)-2-[(3-methoxy-4-propoxyphenyl)methylidene]propanediamide (PubChem CID 27131162) has the molecular formula C26H24F2N2O4 and a molecular weight of 466.48 g/mol. Its IUPAC name is N,N'-bis(2-fluorophenyl)-2-[(3-methoxy-4-propoxyphenyl)methylidene]propanediamide.

Molecular Properties

Compound NameN,N'-bis(2-fluorophenyl)-2-[(3-methoxy-4-propoxyphenyl)methylidene]propanediamide
PubChem CID27131162
Molecular FormulaC26H24F2N2O4
Molecular Weight466.48 g/mol
Exact Mass466.17
IUPAC NameN,N'-bis(2-fluorophenyl)-2-[(3-methoxy-4-propoxyphenyl)methylidene]propanediamide
SMILESCCCOc1ccc(C=C(C(=O)Nc2ccccc2F)C(=O)Nc2ccccc2F)cc1OC
InChIInChI=1S/C26H24F2N2O4/c1-3-14-34-23-13-12-17(16-24(23)33-2)15-18(25(31)29-21-10-6-4-8-19(21)27)26(32)30-22-11-7-5-9-20(22)28/h4-13,15-16H,3,14H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyQMSGUBNDGXIXRK-UHFFFAOYSA-N
XLogP5.42
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.48
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 5127825
N-(2-fluorophenyl)-2-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxyacetamide
CID 7700109
(2E)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-oxo-N-[2-(trifluoromethyl)phenyl]butanamide
CID 8865392
N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide
CID 5040782
(E)-3-(4-butoxy-3-methoxyphenyl)-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide
CID 2130612
4-(2,2-dibromoethenyl)-2-methoxy-1-propoxybenzene
CID 22970780
(E)-3-(4-butoxy-3-methoxyphenyl)-2-cyano-N-(2-methylphenyl)prop-2-enamide
CID 2402235
2-cyano-3-[4-[2-(2-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]-N-phenylprop-2-enamide
CID 3929011
N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 126262196
2-[(4-ethyl-3-nitrophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide
CID 166435125
2-cyano-N-(2,3-dimethylphenyl)-3-[4-[2-(2-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]prop-2-enamide
CID 3890322
methyl 2-[3-(3-methoxy-4-propoxyphenyl)prop-2-enoylamino]benzoate
CID 4224140

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-fluorophenyl)-2-[(3-methoxy-4-propoxyphenyl)methylidene]propanediamide?
The IUPAC name of N,N'-bis(2-fluorophenyl)-2-[(3-methoxy-4-propoxyphenyl)methylidene]propanediamide (CID 27131162) is N,N'-bis(2-fluorophenyl)-2-[(3-methoxy-4-propoxyphenyl)methylidene]propanediamide.
What is the SMILES notation for N,N'-bis(2-fluorophenyl)-2-[(3-methoxy-4-propoxyphenyl)methylidene]propanediamide?
The canonical SMILES for N,N'-bis(2-fluorophenyl)-2-[(3-methoxy-4-propoxyphenyl)methylidene]propanediamide is CCCOc1ccc(C=C(C(=O)Nc2ccccc2F)C(=O)Nc2ccccc2F)cc1OC.
What is the InChIKey of N,N'-bis(2-fluorophenyl)-2-[(3-methoxy-4-propoxyphenyl)methylidene]propanediamide?
The InChIKey is QMSGUBNDGXIXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N2O4/c1-3-14-34-23-13-12-17(16-24(23)33-2)15-18(25(31)29-21-10-6-4-8-19(21)27)26(32)30-22-11-7-5-9-20(22)28/h4-13,15-16H,3,14H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of N,N'-bis(2-fluorophenyl)-2-[(3-methoxy-4-propoxyphenyl)methylidene]propanediamide?
N,N'-bis(2-fluorophenyl)-2-[(3-methoxy-4-propoxyphenyl)methylidene]propanediamide has a molecular weight of 466.48 g/mol, XLogP of 5.42, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-fluorophenyl)-2-[(3-methoxy-4-propoxyphenyl)methylidene]propanediamide is sourced from PubChem (CID 27131162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).