5-[(4-fluorophenoxy)methyl]-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide

C17H12F2N2O3S — CID 119055789

IUPAC5-[(4-fluorophenoxy)methyl]-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1ccc(F)s1)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C17H12F2N2O3S/c18-11-1-3-12(4-2-11)23-10-13-5-7-15(24-13)17(22)21-20-9-14-6-8-16(19)25-14/h1-9H,10H2,(H,21,22)/b20-9+
InChIKeyIOYCQOUUWNJWLV-AWQFTUOYSA-N
MW362.36 g/mol
LogP3.96
Rot. Bonds6

About 5-[(4-fluorophenoxy)methyl]-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide

5-[(4-fluorophenoxy)methyl]-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide (PubChem CID 119055789) has the molecular formula C17H12F2N2O3S and a molecular weight of 362.36 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenoxy)methyl]-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide
PubChem CID119055789
Molecular FormulaC17H12F2N2O3S
Molecular Weight362.36 g/mol
Exact Mass362.05
IUPAC Name5-[(4-fluorophenoxy)methyl]-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1ccc(F)s1)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C17H12F2N2O3S/c18-11-1-3-12(4-2-11)23-10-13-5-7-15(24-13)17(22)21-20-9-14-6-8-16(19)25-14/h1-9H,10H2,(H,21,22)/b20-9+
InChIKeyIOYCQOUUWNJWLV-AWQFTUOYSA-N
XLogP3.96
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

5-[(2,3-dimethylphenoxy)methyl]-N-[(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide
CID 171130863
5-[(4-fluorophenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 27228908
N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 27555711
N-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]-5-(phenoxymethyl)furan-2-carboxamide
CID 135729375
5-[(4-fluorophenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 19413095
N-[(4-fluorophenyl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 7975174
N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 78776389
5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]-N-[(E)-(4-iodophenyl)methylideneamino]furan-2-carboxamide
CID 126415008
N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-3-methoxybenzamide
CID 119055652
5-[(4-fluorophenoxy)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]furan-2-carboxamide
CID 46666068
5-[(4-fluorophenoxy)methyl]-N-(2-thiophen-3-ylethyl)furan-2-carboxamide
CID 46423641
5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 126409092

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide (CID 119055789) is 5-[(4-fluorophenoxy)methyl]-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide is O=C(N/N=C/c1ccc(F)s1)c1ccc(COc2ccc(F)cc2)o1.
What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide?
The InChIKey is IOYCQOUUWNJWLV-AWQFTUOYSA-N. The full InChI is InChI=1S/C17H12F2N2O3S/c18-11-1-3-12(4-2-11)23-10-13-5-7-15(24-13)17(22)21-20-9-14-6-8-16(19)25-14/h1-9H,10H2,(H,21,22)/b20-9+.
What are the key properties of 5-[(4-fluorophenoxy)methyl]-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide?
5-[(4-fluorophenoxy)methyl]-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide has a molecular weight of 362.36 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenoxy)methyl]-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 119055789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).