N,N'-bis(2-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]methylidene]propanediamide

C25H21F3N2O4 — CID 2369819

IUPACN,N'-bis(2-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]methylidene]propanediamide
SMILESCOc1ccccc1NC(=O)C(=Cc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1OC
InChIInChI=1S/C25H21F3N2O4/c1-33-21-13-7-5-11-19(21)29-23(31)17(15-16-9-3-4-10-18(16)25(26,27)28)24(32)30-20-12-6-8-14-22(20)34-2/h3-15H,1-2H3,(H,29,31)(H,30,32)
InChIKeyFZUBVUDUIVXHKB-UHFFFAOYSA-N
MW470.45 g/mol
LogP5.38
Rot. Bonds7

About N,N'-bis(2-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]methylidene]propanediamide

N,N'-bis(2-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]methylidene]propanediamide (PubChem CID 2369819) has the molecular formula C25H21F3N2O4 and a molecular weight of 470.45 g/mol. Its IUPAC name is N,N'-bis(2-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]methylidene]propanediamide.

Molecular Properties

Compound NameN,N'-bis(2-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]methylidene]propanediamide
PubChem CID2369819
Molecular FormulaC25H21F3N2O4
Molecular Weight470.45 g/mol
Exact Mass470.15
IUPAC NameN,N'-bis(2-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]methylidene]propanediamide
SMILESCOc1ccccc1NC(=O)C(=Cc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1OC
InChIInChI=1S/C25H21F3N2O4/c1-33-21-13-7-5-11-19(21)29-23(31)17(15-16-9-3-4-10-18(16)25(26,27)28)24(32)30-20-12-6-8-14-22(20)34-2/h3-15H,1-2H3,(H,29,31)(H,30,32)
InChIKeyFZUBVUDUIVXHKB-UHFFFAOYSA-N
XLogP5.38
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.45
LogP ≤ 55.38
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

2-[(2,3-dichlorophenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide
CID 16554527
dimethyl 2-[[2-(trifluoromethyl)phenyl]methylidene]propanedioate
CID 122395417
2-[(2,5-dimethoxyphenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide
CID 2436196
(E)-2-cyano-3-(2-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 19175785
N,N'-bis(2-methoxyphenyl)-2-[(4-propan-2-ylphenyl)methylidene]propanediamide
CID 2445487
methyl (2Z)-3-oxo-2-[[2-(trifluoromethyl)phenyl]methylidene]pentanoate
CID 101336963
(2E)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-[2-(trifluoromethyl)phenyl]butanamide
CID 8865341
(E)-2-cyano-N,3-bis(2-methoxyphenyl)prop-2-enamide
CID 2713805
(E)-2-cyano-N-[2-(trifluoromethyl)phenyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 27103001
3-oxo-2-[[2-(trifluoromethyl)phenyl]methylidene]butanoic acid
CID 54559170
(2Z)-3-oxo-2-[[2-(trifluoromethyl)phenyl]methylidene]butanoic acid
CID 70043020
(2E)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-oxo-N-[2-(trifluoromethyl)phenyl]butanamide
CID 8865392

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]methylidene]propanediamide?
The IUPAC name of N,N'-bis(2-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]methylidene]propanediamide (CID 2369819) is N,N'-bis(2-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]methylidene]propanediamide.
What is the SMILES notation for N,N'-bis(2-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]methylidene]propanediamide?
The canonical SMILES for N,N'-bis(2-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]methylidene]propanediamide is COc1ccccc1NC(=O)C(=Cc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1OC.
What is the InChIKey of N,N'-bis(2-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]methylidene]propanediamide?
The InChIKey is FZUBVUDUIVXHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N2O4/c1-33-21-13-7-5-11-19(21)29-23(31)17(15-16-9-3-4-10-18(16)25(26,27)28)24(32)30-20-12-6-8-14-22(20)34-2/h3-15H,1-2H3,(H,29,31)(H,30,32).
What are the key properties of N,N'-bis(2-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]methylidene]propanediamide?
N,N'-bis(2-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]methylidene]propanediamide has a molecular weight of 470.45 g/mol, XLogP of 5.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]methylidene]propanediamide is sourced from PubChem (CID 2369819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).