N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide

C19H15FN2O3 — CID 3439847

IUPACN-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NN=Cc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C19H15FN2O3/c1-24-18-5-3-2-4-16(18)19(23)22-21-12-15-10-11-17(25-15)13-6-8-14(20)9-7-13/h2-12H,1H3,(H,22,23)
InChIKeyXYWCDTUIUVJUPT-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.86
Rot. Bonds5

About N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide

N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide (PubChem CID 3439847) has the molecular formula C19H15FN2O3 and a molecular weight of 338.34 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
PubChem CID3439847
Molecular FormulaC19H15FN2O3
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC NameN-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NN=Cc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C19H15FN2O3/c1-24-18-5-3-2-4-16(18)19(23)22-21-12-15-10-11-17(25-15)13-6-8-14(20)9-7-13/h2-12H,1H3,(H,22,23)
InChIKeyXYWCDTUIUVJUPT-UHFFFAOYSA-N
XLogP3.86
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
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-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3877288
ethyl 3-[5-[[(2-methoxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 3598740
5-bromo-N-[(Z)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 126027660
N-[(Z)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 6087182
N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2,4-dimethoxybenzamide
CID 6109398
2-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 3612541
N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide
CID 126041118
4-[5-[(E)-[(2-phenylmethoxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 19657844
N-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245713
2-bromo-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]benzamide
CID 41300906
2-methoxy-N-[(Z)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 6298177
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 6077231

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide?
The IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide (CID 3439847) is N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide is COc1ccccc1C(=O)NN=Cc1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide?
The InChIKey is XYWCDTUIUVJUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3/c1-24-18-5-3-2-4-16(18)19(23)22-21-12-15-10-11-17(25-15)13-6-8-14(20)9-7-13/h2-12H,1H3,(H,22,23).
What are the key properties of N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide?
N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide has a molecular weight of 338.34 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide is sourced from PubChem (CID 3439847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).