N-[5-[[C-[(Z)-2-(4,5-difluoro-2-methoxyphenyl)-2-(methylideneamino)ethenyl]-N-methylcarbonimidoyl]amino]-2-methoxyphenyl]formamide

C20H20F2N4O3 — CID 129015231

IUPACN-[5-[[C-[(Z)-2-(4,5-difluoro-2-methoxyphenyl)-2-(methylideneamino)ethenyl]-N-methylcarbonimidoyl]amino]-2-methoxyphenyl]formamide
SMILESC=N/C(=C\C(=N\C)Nc1ccc(OC)c(NC=O)c1)c1cc(F)c(F)cc1OC
InChIInChI=1S/C20H20F2N4O3/c1-23-16(13-8-14(21)15(22)9-19(13)29-4)10-20(24-2)26-12-5-6-18(28-3)17(7-12)25-11-27/h5-11H,1H2,2-4H3,(H,24,26)(H,25,27)/b16-10-
InChIKeyIEQWLWNIBFFOIU-YBEGLDIGSA-N
MW402.40 g/mol
LogP3.73
Rot. Bonds8

About N-[5-[[C-[(Z)-2-(4,5-difluoro-2-methoxyphenyl)-2-(methylideneamino)ethenyl]-N-methylcarbonimidoyl]amino]-2-methoxyphenyl]formamide

N-[5-[[C-[(Z)-2-(4,5-difluoro-2-methoxyphenyl)-2-(methylideneamino)ethenyl]-N-methylcarbonimidoyl]amino]-2-methoxyphenyl]formamide (PubChem CID 129015231) has the molecular formula C20H20F2N4O3 and a molecular weight of 402.40 g/mol. Its IUPAC name is N-[5-[[C-[(Z)-2-(4,5-difluoro-2-methoxyphenyl)-2-(methylideneamino)ethenyl]-N-methylcarbonimidoyl]amino]-2-methoxyphenyl]formamide.

Molecular Properties

Compound NameN-[5-[[C-[(Z)-2-(4,5-difluoro-2-methoxyphenyl)-2-(methylideneamino)ethenyl]-N-methylcarbonimidoyl]amino]-2-methoxyphenyl]formamide
PubChem CID129015231
Molecular FormulaC20H20F2N4O3
Molecular Weight402.40 g/mol
Exact Mass402.15
IUPAC NameN-[5-[[C-[(Z)-2-(4,5-difluoro-2-methoxyphenyl)-2-(methylideneamino)ethenyl]-N-methylcarbonimidoyl]amino]-2-methoxyphenyl]formamide
SMILESC=N/C(=C\C(=N\C)Nc1ccc(OC)c(NC=O)c1)c1cc(F)c(F)cc1OC
InChIInChI=1S/C20H20F2N4O3/c1-23-16(13-8-14(21)15(22)9-19(13)29-4)10-20(24-2)26-12-5-6-18(28-3)17(7-12)25-11-27/h5-11H,1H2,2-4H3,(H,24,26)(H,25,27)/b16-10-
InChIKeyIEQWLWNIBFFOIU-YBEGLDIGSA-N
XLogP3.73
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(5-formyl-2-methoxyphenyl)formamide
CID 168654093
N-(3-acetamido-4-methoxyphenyl)-2,4-difluorobenzamide
CID 33307531
1-(3,4-difluorophenyl)-3-[4-methoxy-3-[1-[(methylideneamino)-propan-2-ylamino]ethenyl]phenyl]urea
CID 142996283
N-(3-fluoro-2,4-dimethoxyphenyl)formamide
CID 168651681
N-(4-formamido-2-methoxyphenyl)acetamide
CID 64990664
N-(4,5-dimethoxy-2-prop-1-en-2-ylphenyl)formamide
CID 165346221
5-formamido-2-methoxybenzenediazonium
CID 87219285
2-fluoro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide
CID 46487214
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
N-(3,4-difluorophenyl)-2-methoxy-5-methylbenzamide
CID 9210303
2-bromo-N-(3-fluoro-4-methoxyphenyl)-2-methylpropanamide
CID 114327553
5-chloro-N-(4-chlorophenyl)-2-formamido-3-methoxybenzamide
CID 142083337

Frequently Asked Questions

What is the IUPAC name of N-[5-[[C-[(Z)-2-(4,5-difluoro-2-methoxyphenyl)-2-(methylideneamino)ethenyl]-N-methylcarbonimidoyl]amino]-2-methoxyphenyl]formamide?
The IUPAC name of N-[5-[[C-[(Z)-2-(4,5-difluoro-2-methoxyphenyl)-2-(methylideneamino)ethenyl]-N-methylcarbonimidoyl]amino]-2-methoxyphenyl]formamide (CID 129015231) is N-[5-[[C-[(Z)-2-(4,5-difluoro-2-methoxyphenyl)-2-(methylideneamino)ethenyl]-N-methylcarbonimidoyl]amino]-2-methoxyphenyl]formamide.
What is the SMILES notation for N-[5-[[C-[(Z)-2-(4,5-difluoro-2-methoxyphenyl)-2-(methylideneamino)ethenyl]-N-methylcarbonimidoyl]amino]-2-methoxyphenyl]formamide?
The canonical SMILES for N-[5-[[C-[(Z)-2-(4,5-difluoro-2-methoxyphenyl)-2-(methylideneamino)ethenyl]-N-methylcarbonimidoyl]amino]-2-methoxyphenyl]formamide is C=N/C(=C\C(=N\C)Nc1ccc(OC)c(NC=O)c1)c1cc(F)c(F)cc1OC.
What is the InChIKey of N-[5-[[C-[(Z)-2-(4,5-difluoro-2-methoxyphenyl)-2-(methylideneamino)ethenyl]-N-methylcarbonimidoyl]amino]-2-methoxyphenyl]formamide?
The InChIKey is IEQWLWNIBFFOIU-YBEGLDIGSA-N. The full InChI is InChI=1S/C20H20F2N4O3/c1-23-16(13-8-14(21)15(22)9-19(13)29-4)10-20(24-2)26-12-5-6-18(28-3)17(7-12)25-11-27/h5-11H,1H2,2-4H3,(H,24,26)(H,25,27)/b16-10-.
What are the key properties of N-[5-[[C-[(Z)-2-(4,5-difluoro-2-methoxyphenyl)-2-(methylideneamino)ethenyl]-N-methylcarbonimidoyl]amino]-2-methoxyphenyl]formamide?
N-[5-[[C-[(Z)-2-(4,5-difluoro-2-methoxyphenyl)-2-(methylideneamino)ethenyl]-N-methylcarbonimidoyl]amino]-2-methoxyphenyl]formamide has a molecular weight of 402.40 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[C-[(Z)-2-(4,5-difluoro-2-methoxyphenyl)-2-(methylideneamino)ethenyl]-N-methylcarbonimidoyl]amino]-2-methoxyphenyl]formamide is sourced from PubChem (CID 129015231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).