2-fluoro-N-[3-[(Z)-C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide

C23H20FN3O3 — CID 6015269

IUPAC2-fluoro-N-[3-[(Z)-C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide
SMILESC/C(=N/NC(=O)COc1ccccc1)c1cccc(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C23H20FN3O3/c1-16(26-27-22(28)15-30-19-10-3-2-4-11-19)17-8-7-9-18(14-17)25-23(29)20-12-5-6-13-21(20)24/h2-14H,15H2,1H3,(H,25,29)(H,27,28)/b26-16-
InChIKeySNFZWDAJQDWPEN-QQXSKIMKSA-N
MW405.43 g/mol
LogP4.00
Rot. Bonds7

About 2-fluoro-N-[3-[(Z)-C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide

2-fluoro-N-[3-[(Z)-C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide (PubChem CID 6015269) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is 2-fluoro-N-[3-[(Z)-C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[(Z)-C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide
PubChem CID6015269
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC Name2-fluoro-N-[3-[(Z)-C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide
SMILESC/C(=N/NC(=O)COc1ccccc1)c1cccc(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C23H20FN3O3/c1-16(26-27-22(28)15-30-19-10-3-2-4-11-19)17-8-7-9-18(14-17)25-23(29)20-12-5-6-13-21(20)24/h2-14H,15H2,1H3,(H,25,29)(H,27,28)/b26-16-
InChIKeySNFZWDAJQDWPEN-QQXSKIMKSA-N
XLogP4.00
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.00
H-Bond Donors ≤ 52
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

4-chloro-N-[3-[C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide
CID 5007184
4-chloro-N-[3-[(Z)-C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide
CID 6246372
N-[3-[N-[[2-(2,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-2-fluorobenzamide
CID 3419303
2-fluoro-N-[3-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 24818707
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907
N-[3-[(Z)-N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-3-fluorobenzamide
CID 6022276
N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide
CID 19685184
N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-2-fluorobenzamide
CID 6146725
2-fluoro-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24708149
2,4-dichloro-N-[4-[C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide
CID 3688063
2-chloro-N-[4-[(E)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 23094897
N-(1-naphthalen-2-ylethylideneamino)-2-phenoxyacetamide
CID 913446

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[(Z)-C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-[(Z)-C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide (CID 6015269) is 2-fluoro-N-[3-[(Z)-C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-[(Z)-C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-[(Z)-C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide is C/C(=N/NC(=O)COc1ccccc1)c1cccc(NC(=O)c2ccccc2F)c1.
What is the InChIKey of 2-fluoro-N-[3-[(Z)-C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide?
The InChIKey is SNFZWDAJQDWPEN-QQXSKIMKSA-N. The full InChI is InChI=1S/C23H20FN3O3/c1-16(26-27-22(28)15-30-19-10-3-2-4-11-19)17-8-7-9-18(14-17)25-23(29)20-12-5-6-13-21(20)24/h2-14H,15H2,1H3,(H,25,29)(H,27,28)/b26-16-.
What are the key properties of 2-fluoro-N-[3-[(Z)-C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide?
2-fluoro-N-[3-[(Z)-C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide has a molecular weight of 405.43 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[(Z)-C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide is sourced from PubChem (CID 6015269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).