2-fluoro-N-[3-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide

C23H20FN3O3 — CID 24818707

IUPAC2-fluoro-N-[3-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)NN=C(C)c2cccc(NC(=O)c3ccccc3F)c2)cc1
InChIInChI=1S/C23H20FN3O3/c1-15(26-27-22(28)16-10-12-19(30-2)13-11-16)17-6-5-7-18(14-17)25-23(29)20-8-3-4-9-21(20)24/h3-14H,1-2H3,(H,25,29)(H,27,28)
InChIKeySXMUPPSOINYQCC-UHFFFAOYSA-N
MW405.43 g/mol
LogP4.24
Rot. Bonds6

About 2-fluoro-N-[3-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide

2-fluoro-N-[3-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide (PubChem CID 24818707) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is 2-fluoro-N-[3-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
PubChem CID24818707
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC Name2-fluoro-N-[3-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)NN=C(C)c2cccc(NC(=O)c3ccccc3F)c2)cc1
InChIInChI=1S/C23H20FN3O3/c1-15(26-27-22(28)16-10-12-19(30-2)13-11-16)17-6-5-7-18(14-17)25-23(29)20-8-3-4-9-21(20)24/h3-14H,1-2H3,(H,25,29)(H,27,28)
InChIKeySXMUPPSOINYQCC-UHFFFAOYSA-N
XLogP4.24
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.24
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

N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-2-fluorobenzamide
CID 6146725
2-fluoro-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 4200169
4-methoxy-N-[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 1004731
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-2-methoxybenzamide
CID 6075800
2-fluoro-N-[3-[(Z)-C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide
CID 6015269
2-fluoro-N-[4-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 1287432
4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 3289478
2-fluoro-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24708149
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-propan-2-yloxybenzamide
CID 9215676
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-hydroxybenzamide
CID 6217170
4-N-[(E)-1-(3-acetamidophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 17349534

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide (CID 24818707) is 2-fluoro-N-[3-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide is COc1ccc(C(=O)NN=C(C)c2cccc(NC(=O)c3ccccc3F)c2)cc1.
What is the InChIKey of 2-fluoro-N-[3-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide?
The InChIKey is SXMUPPSOINYQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3/c1-15(26-27-22(28)16-10-12-19(30-2)13-11-16)17-6-5-7-18(14-17)25-23(29)20-8-3-4-9-21(20)24/h3-14H,1-2H3,(H,25,29)(H,27,28).
What are the key properties of 2-fluoro-N-[3-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide?
2-fluoro-N-[3-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide has a molecular weight of 405.43 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide is sourced from PubChem (CID 24818707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).