2-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide

C19H14FN3O3 — CID 1237415

IUPAC2-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide
SMILESO=C(Nc1ccccc1C(=O)NN=Cc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C19H14FN3O3/c20-14-9-7-13(8-10-14)18(24)22-17-6-2-1-5-16(17)19(25)23-21-12-15-4-3-11-26-15/h1-12H,(H,22,24)(H,23,25)
InChIKeyCFHZRYJOUAEEEK-UHFFFAOYSA-N
MW351.34 g/mol
LogP3.43
Rot. Bonds5

About 2-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide

2-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide (PubChem CID 1237415) has the molecular formula C19H14FN3O3 and a molecular weight of 351.34 g/mol. Its IUPAC name is 2-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide.

Molecular Properties

Compound Name2-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide
PubChem CID1237415
Molecular FormulaC19H14FN3O3
Molecular Weight351.34 g/mol
Exact Mass351.10
IUPAC Name2-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide
SMILESO=C(Nc1ccccc1C(=O)NN=Cc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C19H14FN3O3/c20-14-9-7-13(8-10-14)18(24)22-17-6-2-1-5-16(17)19(25)23-21-12-15-4-3-11-26-15/h1-12H,(H,22,24)(H,23,25)
InChIKeyCFHZRYJOUAEEEK-UHFFFAOYSA-N
XLogP3.43
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 53.43
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

2-[(4-chlorobenzoyl)amino]-N-[(Z)-furan-2-ylmethylideneamino]benzamide
CID 6088620
2-[(4-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide
CID 23108146
2-[(4-fluorobenzoyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
CID 23107441
N-[(Z)-furan-2-ylmethylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 126003105
N-[4-[(furan-2-ylmethylideneamino)carbamoyl]phenyl]-2-methylbenzamide
CID 690188
N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide
CID 5402801
3-fluoro-N-[(E)-furan-2-ylmethylideneamino]benzamide
CID 6895117
N-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide
CID 5411378
N-[(E)-furan-2-ylmethylideneamino]-4-phenoxybenzamide
CID 166606480
N-[(Z)-furan-2-ylmethylideneamino]-4-methoxybenzamide
CID 5372129
N-(furan-2-ylmethylideneamino)naphthalene-2-carboxamide
CID 67077074
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-[(4-fluorobenzoyl)amino]benzamide
CID 23107297

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide?
The IUPAC name of 2-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide (CID 1237415) is 2-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide.
What is the SMILES notation for 2-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide?
The canonical SMILES for 2-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide is O=C(Nc1ccccc1C(=O)NN=Cc1ccco1)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide?
The InChIKey is CFHZRYJOUAEEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3/c20-14-9-7-13(8-10-14)18(24)22-17-6-2-1-5-16(17)19(25)23-21-12-15-4-3-11-26-15/h1-12H,(H,22,24)(H,23,25).
What are the key properties of 2-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide?
2-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide has a molecular weight of 351.34 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide is sourced from PubChem (CID 1237415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).