2,6-difluoro-3-[2-[methyl-[(Z)-prop-2-enylideneamino]amino]ethoxy]benzamide

C13H15F2N3O2 — CID 143542927

IUPAC2,6-difluoro-3-[2-[methyl-[(Z)-prop-2-enylideneamino]amino]ethoxy]benzamide
SMILESC=C/C=N\N(C)CCOc1ccc(F)c(C(N)=O)c1F
InChIInChI=1S/C13H15F2N3O2/c1-3-6-17-18(2)7-8-20-10-5-4-9(14)11(12(10)15)13(16)19/h3-6H,1,7-8H2,2H3,(H2,16,19)/b17-6-
InChIKeyQRPANKIBVXQEJW-FMQZQXMHSA-N
MW283.28 g/mol
LogP1.55
Rot. Bonds7

About 2,6-difluoro-3-[2-[methyl-[(Z)-prop-2-enylideneamino]amino]ethoxy]benzamide

2,6-difluoro-3-[2-[methyl-[(Z)-prop-2-enylideneamino]amino]ethoxy]benzamide (PubChem CID 143542927) has the molecular formula C13H15F2N3O2 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2,6-difluoro-3-[2-[methyl-[(Z)-prop-2-enylideneamino]amino]ethoxy]benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-[2-[methyl-[(Z)-prop-2-enylideneamino]amino]ethoxy]benzamide
PubChem CID143542927
Molecular FormulaC13H15F2N3O2
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name2,6-difluoro-3-[2-[methyl-[(Z)-prop-2-enylideneamino]amino]ethoxy]benzamide
SMILESC=C/C=N\N(C)CCOc1ccc(F)c(C(N)=O)c1F
InChIInChI=1S/C13H15F2N3O2/c1-3-6-17-18(2)7-8-20-10-5-4-9(14)11(12(10)15)13(16)19/h3-6H,1,7-8H2,2H3,(H2,16,19)/b17-6-
InChIKeyQRPANKIBVXQEJW-FMQZQXMHSA-N
XLogP1.55
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(5-chloropentoxy)-2,6-difluorobenzamide
CID 66546028
methyl (E)-4-(3-carbamoyl-2,4-difluorophenoxy)but-2-enoate
CID 59402682
3-[2-[(E)-2-amino-1-bromo-2-(4-methoxyphenyl)ethenoxy]ethoxy]-2,6-difluorobenzamide;ethane
CID 143542763
2,6-difluoro-3-[(3-methylphenyl)methoxy]benzamide;ethane
CID 143542803
3-[3-[4-(4-chlorophenyl)-5-prop-2-enyl-1,3-oxazol-2-yl]propoxy]-2,6-difluorobenzamide
CID 89157321
2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide;ethane
CID 143542941
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-2,6-difluorobenzamide
CID 134137552
1-[3-[4-(2,4-dichlorophenoxy)butoxy]-2,6-difluorophenyl]ethenamine
CID 144965311
2,6-difluoro-3-(quinolin-7-ylmethoxy)benzamide
CID 59402735
3-[[3-(2-butoxy-4-chlorophenyl)-1,2,4-thiadiazol-5-yl]methoxy]-2,6-difluorobenzamide
CID 70839867
3-(1-benzothiophen-2-ylmethoxy)-2,6-difluorobenzamide
CID 59402891
3-[3-[4-(4-chlorophenyl)-5-propyl-1,3-oxazol-2-yl]propoxy]-2,6-difluorobenzamide
CID 70979947

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[2-[methyl-[(Z)-prop-2-enylideneamino]amino]ethoxy]benzamide?
The IUPAC name of 2,6-difluoro-3-[2-[methyl-[(Z)-prop-2-enylideneamino]amino]ethoxy]benzamide (CID 143542927) is 2,6-difluoro-3-[2-[methyl-[(Z)-prop-2-enylideneamino]amino]ethoxy]benzamide.
What is the SMILES notation for 2,6-difluoro-3-[2-[methyl-[(Z)-prop-2-enylideneamino]amino]ethoxy]benzamide?
The canonical SMILES for 2,6-difluoro-3-[2-[methyl-[(Z)-prop-2-enylideneamino]amino]ethoxy]benzamide is C=C/C=N\N(C)CCOc1ccc(F)c(C(N)=O)c1F.
What is the InChIKey of 2,6-difluoro-3-[2-[methyl-[(Z)-prop-2-enylideneamino]amino]ethoxy]benzamide?
The InChIKey is QRPANKIBVXQEJW-FMQZQXMHSA-N. The full InChI is InChI=1S/C13H15F2N3O2/c1-3-6-17-18(2)7-8-20-10-5-4-9(14)11(12(10)15)13(16)19/h3-6H,1,7-8H2,2H3,(H2,16,19)/b17-6-.
What are the key properties of 2,6-difluoro-3-[2-[methyl-[(Z)-prop-2-enylideneamino]amino]ethoxy]benzamide?
2,6-difluoro-3-[2-[methyl-[(Z)-prop-2-enylideneamino]amino]ethoxy]benzamide has a molecular weight of 283.28 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[2-[methyl-[(Z)-prop-2-enylideneamino]amino]ethoxy]benzamide is sourced from PubChem (CID 143542927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).