N-(2,6-difluorophenyl)-4-[(2-ethoxyphenyl)methylimino]-2-iminobutanamide

C19H19F2N3O2 — CID 90973750

IUPACN-(2,6-difluorophenyl)-4-[(2-ethoxyphenyl)methylimino]-2-iminobutanamide
SMILES[H]/N=C(\C/C=N/Cc1ccccc1OCC)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C19H19F2N3O2/c1-2-26-17-9-4-3-6-13(17)12-23-11-10-16(22)19(25)24-18-14(20)7-5-8-15(18)21/h3-9,11,22H,2,10,12H2,1H3,(H,24,25)/b22-16+,23-11+
InChIKeyXWVDYVXTUVHLAP-APWDOMHXSA-N
MW359.38 g/mol
LogP3.98
Rot. Bonds8

About N-(2,6-difluorophenyl)-4-[(2-ethoxyphenyl)methylimino]-2-iminobutanamide

N-(2,6-difluorophenyl)-4-[(2-ethoxyphenyl)methylimino]-2-iminobutanamide (PubChem CID 90973750) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-4-[(2-ethoxyphenyl)methylimino]-2-iminobutanamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-4-[(2-ethoxyphenyl)methylimino]-2-iminobutanamide
PubChem CID90973750
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC NameN-(2,6-difluorophenyl)-4-[(2-ethoxyphenyl)methylimino]-2-iminobutanamide
SMILES[H]/N=C(\C/C=N/Cc1ccccc1OCC)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C19H19F2N3O2/c1-2-26-17-9-4-3-6-13(17)12-23-11-10-16(22)19(25)24-18-14(20)7-5-8-15(18)21/h3-9,11,22H,2,10,12H2,1H3,(H,24,25)/b22-16+,23-11+
InChIKeyXWVDYVXTUVHLAP-APWDOMHXSA-N
XLogP3.98
TPSA74.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-4-[(2-ethoxyphenyl)methylimino]-2-iminobutanamide?
The IUPAC name of N-(2,6-difluorophenyl)-4-[(2-ethoxyphenyl)methylimino]-2-iminobutanamide (CID 90973750) is N-(2,6-difluorophenyl)-4-[(2-ethoxyphenyl)methylimino]-2-iminobutanamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-4-[(2-ethoxyphenyl)methylimino]-2-iminobutanamide?
The canonical SMILES for N-(2,6-difluorophenyl)-4-[(2-ethoxyphenyl)methylimino]-2-iminobutanamide is [H]/N=C(\C/C=N/Cc1ccccc1OCC)C(=O)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-4-[(2-ethoxyphenyl)methylimino]-2-iminobutanamide?
The InChIKey is XWVDYVXTUVHLAP-APWDOMHXSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c1-2-26-17-9-4-3-6-13(17)12-23-11-10-16(22)19(25)24-18-14(20)7-5-8-15(18)21/h3-9,11,22H,2,10,12H2,1H3,(H,24,25)/b22-16+,23-11+.
What are the key properties of N-(2,6-difluorophenyl)-4-[(2-ethoxyphenyl)methylimino]-2-iminobutanamide?
N-(2,6-difluorophenyl)-4-[(2-ethoxyphenyl)methylimino]-2-iminobutanamide has a molecular weight of 359.38 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-4-[(2-ethoxyphenyl)methylimino]-2-iminobutanamide is sourced from PubChem (CID 90973750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).