4-fluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide

C19H16FNO3 — CID 78798694

IUPAC4-fluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
SMILESO=C(c1ccc(F)cc1)N(Cc1ccco1)Cc1ccccc1O
InChIInChI=1S/C19H16FNO3/c20-16-9-7-14(8-10-16)19(23)21(13-17-5-3-11-24-17)12-15-4-1-2-6-18(15)22/h1-11,22H,12-13H2
InChIKeyKWOSSOWCXFWVEN-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.97
Rot. Bonds5

About 4-fluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide

4-fluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide (PubChem CID 78798694) has the molecular formula C19H16FNO3 and a molecular weight of 325.34 g/mol. Its IUPAC name is 4-fluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
PubChem CID78798694
Molecular FormulaC19H16FNO3
Molecular Weight325.34 g/mol
Exact Mass325.11
IUPAC Name4-fluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
SMILESO=C(c1ccc(F)cc1)N(Cc1ccco1)Cc1ccccc1O
InChIInChI=1S/C19H16FNO3/c20-16-9-7-14(8-10-16)19(23)21(13-17-5-3-11-24-17)12-15-4-1-2-6-18(15)22/h1-11,22H,12-13H2
InChIKeyKWOSSOWCXFWVEN-UHFFFAOYSA-N
XLogP3.97
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 78798707
2-chloro-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 17012308
N-[2-(2-bromoanilino)-2-oxoethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 4779798
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]hexanamide
CID 60592362
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-(1,2-oxazol-3-yl)acetamide
CID 75387529
[3-[[(4-fluorobenzoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate
CID 42775425
N-benzyl-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 4518197
N-cyclopentyl-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 60737869
2-[[[2-(4-fluorophenyl)-2-hydroxyethyl]-(furan-2-ylmethyl)amino]methyl]phenol
CID 111113377
1-(4-fluorophenyl)-2-(furan-2-yl)ethanone
CID 83172698
2-amino-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 39362089
[5-[[(4-fluorobenzoyl)-(furan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] methanesulfonate
CID 3379948

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide?
The IUPAC name of 4-fluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide (CID 78798694) is 4-fluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide?
The canonical SMILES for 4-fluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide is O=C(c1ccc(F)cc1)N(Cc1ccco1)Cc1ccccc1O.
What is the InChIKey of 4-fluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide?
The InChIKey is KWOSSOWCXFWVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3/c20-16-9-7-14(8-10-16)19(23)21(13-17-5-3-11-24-17)12-15-4-1-2-6-18(15)22/h1-11,22H,12-13H2.
What are the key properties of 4-fluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide?
4-fluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide has a molecular weight of 325.34 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide is sourced from PubChem (CID 78798694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).