2,2-difluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]cyclopropane-1-carboxamide

C20H18F2N2O2 — CID 143726664

IUPAC2,2-difluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]cyclopropane-1-carboxamide
SMILESC=N/C(=C(/NC(=O)C1CC1(F)F)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H18F2N2O2/c1-23-17(15-10-6-3-7-11-15)19(24-18(25)16-12-20(16,21)22)26-13-14-8-4-2-5-9-14/h2-11,16H,1,12-13H2,(H,24,25)/b19-17-
InChIKeyHTTLKZMJWBREPR-ZPHPHTNESA-N
MW356.37 g/mol
LogP4.00
Rot. Bonds7

About 2,2-difluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]cyclopropane-1-carboxamide

2,2-difluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]cyclopropane-1-carboxamide (PubChem CID 143726664) has the molecular formula C20H18F2N2O2 and a molecular weight of 356.37 g/mol. Its IUPAC name is 2,2-difluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]cyclopropane-1-carboxamide
PubChem CID143726664
Molecular FormulaC20H18F2N2O2
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name2,2-difluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]cyclopropane-1-carboxamide
SMILESC=N/C(=C(/NC(=O)C1CC1(F)F)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H18F2N2O2/c1-23-17(15-10-6-3-7-11-15)19(24-18(25)16-12-20(16,21)22)26-13-14-8-4-2-5-9-14/h2-11,16H,1,12-13H2,(H,24,25)/b19-17-
InChIKeyHTTLKZMJWBREPR-ZPHPHTNESA-N
XLogP4.00
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

CID 71085668
CID 71085668
CID 71085672
CID 71085672
CID 143726600
CID 143726600
CID 143726727
CID 143726727
CID 143726730
CID 143726730
CID 143726740
CID 143726740
CID 71085656
CID 71085656
CID 71085680
CID 71085680
CID 71085824
CID 71085824
CID 143726529
CID 143726529
CID 143726570
CID 143726570
CID 143726586
CID 143726586

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-difluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]cyclopropane-1-carboxamide (CID 143726664) is 2,2-difluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-difluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-difluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]cyclopropane-1-carboxamide is C=N/C(=C(/NC(=O)C1CC1(F)F)OCc1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-difluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]cyclopropane-1-carboxamide?
The InChIKey is HTTLKZMJWBREPR-ZPHPHTNESA-N. The full InChI is InChI=1S/C20H18F2N2O2/c1-23-17(15-10-6-3-7-11-15)19(24-18(25)16-12-20(16,21)22)26-13-14-8-4-2-5-9-14/h2-11,16H,1,12-13H2,(H,24,25)/b19-17-.
What are the key properties of 2,2-difluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]cyclopropane-1-carboxamide?
2,2-difluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]cyclopropane-1-carboxamide has a molecular weight of 356.37 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 143726664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).