N-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide

C19H16FNO3 — CID 46697697

IUPACN-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1occc1COc1ccccc1
InChIInChI=1S/C19H16FNO3/c20-16-8-6-14(7-9-16)12-21-19(22)18-15(10-11-23-18)13-24-17-4-2-1-3-5-17/h1-11H,12-13H2,(H,21,22)
InChIKeyOCOMFKUUFZNOER-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.93
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide

N-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide (PubChem CID 46697697) has the molecular formula C19H16FNO3 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
PubChem CID46697697
Molecular FormulaC19H16FNO3
Molecular Weight325.34 g/mol
Exact Mass325.11
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1occc1COc1ccccc1
InChIInChI=1S/C19H16FNO3/c20-16-8-6-14(7-9-16)12-21-19(22)18-15(10-11-23-18)13-24-17-4-2-1-3-5-17/h1-11H,12-13H2,(H,21,22)
InChIKeyOCOMFKUUFZNOER-UHFFFAOYSA-N
XLogP3.93
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46529748
N-[[3-(methoxymethyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46487559
N-[(2-chlorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 26014402
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 56555280
3-(phenoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 30138155
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 29434158
3-(phenoxymethyl)-N-(2H-triazol-4-ylmethyl)furan-2-carboxamide
CID 75512492
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 55743245
N-[(4-fluorophenyl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 7975174
N-(2,4-difluorophenyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 17493088
N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301
N-(2-methoxyethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 51304876

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide (CID 46697697) is N-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide is O=C(NCc1ccc(F)cc1)c1occc1COc1ccccc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is OCOMFKUUFZNOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3/c20-16-8-6-14(7-9-16)12-21-19(22)18-15(10-11-23-18)13-24-17-4-2-1-3-5-17/h1-11H,12-13H2,(H,21,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 46697697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).