3-[(4-fluorobenzoyl)amino]-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide

C21H17FN4O2 — CID 86809541

IUPAC3-[(4-fluorobenzoyl)amino]-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide
SMILESCc1cccc(/C=N/NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)n1
InChIInChI=1S/C21H17FN4O2/c1-14-4-2-7-19(24-14)13-23-26-21(28)16-5-3-6-18(12-16)25-20(27)15-8-10-17(22)11-9-15/h2-13H,1H3,(H,25,27)(H,26,28)/b23-13+
InChIKeySNIJXYWAQTTZBK-YDZHTSKRSA-N
MW376.39 g/mol
LogP3.55
Rot. Bonds5

About 3-[(4-fluorobenzoyl)amino]-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide

3-[(4-fluorobenzoyl)amino]-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide (PubChem CID 86809541) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is 3-[(4-fluorobenzoyl)amino]-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-[(4-fluorobenzoyl)amino]-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide
PubChem CID86809541
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name3-[(4-fluorobenzoyl)amino]-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide
SMILESCc1cccc(/C=N/NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)n1
InChIInChI=1S/C21H17FN4O2/c1-14-4-2-7-19(24-14)13-23-26-21(28)16-5-3-6-18(12-16)25-20(27)15-8-10-17(22)11-9-15/h2-13H,1H3,(H,25,27)(H,26,28)/b23-13+
InChIKeySNIJXYWAQTTZBK-YDZHTSKRSA-N
XLogP3.55
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.55
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-methyl-N-[4-[[(E)-(6-methyl-2-pyridinyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 126457990
2-chloro-N-[3-[[(E)-(6-methyl-2-pyridinyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 46496252
N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide
CID 14987546
3-[(4-fluorobenzoyl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136746485
3-[(4-fluorobenzoyl)amino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135957362
N-[(2-fluorophenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide
CID 24789427
3-acetamido-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 771273
N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
CID 39889179
3-benzamido-N-[(E)-benzylideneamino]benzamide
CID 56690708
1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357
3-[(4-methylbenzoyl)amino]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 46496179
N-[(3-bromophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
CID 171134385

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorobenzoyl)amino]-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide?
The IUPAC name of 3-[(4-fluorobenzoyl)amino]-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide (CID 86809541) is 3-[(4-fluorobenzoyl)amino]-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide.
What is the SMILES notation for 3-[(4-fluorobenzoyl)amino]-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide?
The canonical SMILES for 3-[(4-fluorobenzoyl)amino]-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide is Cc1cccc(/C=N/NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)n1.
What is the InChIKey of 3-[(4-fluorobenzoyl)amino]-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide?
The InChIKey is SNIJXYWAQTTZBK-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-14-4-2-7-19(24-14)13-23-26-21(28)16-5-3-6-18(12-16)25-20(27)15-8-10-17(22)11-9-15/h2-13H,1H3,(H,25,27)(H,26,28)/b23-13+.
What are the key properties of 3-[(4-fluorobenzoyl)amino]-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide?
3-[(4-fluorobenzoyl)amino]-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide has a molecular weight of 376.39 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorobenzoyl)amino]-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide is sourced from PubChem (CID 86809541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).