N-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide

C19H16FNO3 — CID 2053571

IUPACN-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccco2)cc1
InChIInChI=1S/C19H16FNO3/c1-23-17-10-8-16(9-11-17)21(19(22)18-3-2-12-24-18)13-14-4-6-15(20)7-5-14/h2-12H,13H2,1H3
InChIKeyRXXOBXGBUNZNHA-UHFFFAOYSA-N
MW325.34 g/mol
LogP4.27
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide

N-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide (PubChem CID 2053571) has the molecular formula C19H16FNO3 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
PubChem CID2053571
Molecular FormulaC19H16FNO3
Molecular Weight325.34 g/mol
Exact Mass325.11
IUPAC NameN-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccco2)cc1
InChIInChI=1S/C19H16FNO3/c1-23-17-10-8-16(9-11-17)21(19(22)18-3-2-12-24-18)13-14-4-6-15(20)7-5-14/h2-12H,13H2,1H3
InChIKeyRXXOBXGBUNZNHA-UHFFFAOYSA-N
XLogP4.27
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide (CID 2053571) is N-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide is COc1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccco2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide?
The InChIKey is RXXOBXGBUNZNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3/c1-23-17-10-8-16(9-11-17)21(19(22)18-3-2-12-24-18)13-14-4-6-15(20)7-5-14/h2-12H,13H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide?
N-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 2053571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).