N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-6-methyl-4-oxochromene-2-carboxamide

C23H18FNO4 — CID 35342487

IUPACN-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-6-methyl-4-oxochromene-2-carboxamide
SMILESCc1ccc2oc(C(=O)N(Cc3ccc(F)cc3)Cc3ccco3)cc(=O)c2c1
InChIInChI=1S/C23H18FNO4/c1-15-4-9-21-19(11-15)20(26)12-22(29-21)23(27)25(14-18-3-2-10-28-18)13-16-5-7-17(24)8-6-16/h2-12H,13-14H2,1H3
InChIKeyFCZPUEFSPOOPBQ-UHFFFAOYSA-N
MW391.40 g/mol
LogP4.68
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-6-methyl-4-oxochromene-2-carboxamide

N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-6-methyl-4-oxochromene-2-carboxamide (PubChem CID 35342487) has the molecular formula C23H18FNO4 and a molecular weight of 391.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-6-methyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-6-methyl-4-oxochromene-2-carboxamide
PubChem CID35342487
Molecular FormulaC23H18FNO4
Molecular Weight391.40 g/mol
Exact Mass391.12
IUPAC NameN-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-6-methyl-4-oxochromene-2-carboxamide
SMILESCc1ccc2oc(C(=O)N(Cc3ccc(F)cc3)Cc3ccco3)cc(=O)c2c1
InChIInChI=1S/C23H18FNO4/c1-15-4-9-21-19(11-15)20(26)12-22(29-21)23(27)25(14-18-3-2-10-28-18)13-16-5-7-17(24)8-6-16/h2-12H,13-14H2,1H3
InChIKeyFCZPUEFSPOOPBQ-UHFFFAOYSA-N
XLogP4.68
TPSA63.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(furan-2-ylmethyl)-6-methyl-4-oxochromene-2-carboxamide
CID 23605564
6-ethyl-N-(furan-2-ylmethyl)-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide
CID 35181644
6-fluoro-N-(furan-2-ylmethyl)-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541191
N-(furan-2-ylmethyl)-7-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide
CID 35341301
6-fluoro-N-(furan-2-ylmethyl)-4-oxo-N-pyridin-2-ylchromene-2-carboxamide
CID 23613595
N-benzyl-7-bromo-N-(furan-2-ylmethyl)-4-oxochromene-2-carboxamide
CID 35341214
2-amino-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 39362089
2-chloro-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 17012308
N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 17014016
N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide
CID 2975752
6-bromo-N-(furan-2-ylmethyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541273
6-fluoro-N-[(4-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide
CID 43843151

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-6-methyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-6-methyl-4-oxochromene-2-carboxamide (CID 35342487) is N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-6-methyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-6-methyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-6-methyl-4-oxochromene-2-carboxamide is Cc1ccc2oc(C(=O)N(Cc3ccc(F)cc3)Cc3ccco3)cc(=O)c2c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-6-methyl-4-oxochromene-2-carboxamide?
The InChIKey is FCZPUEFSPOOPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO4/c1-15-4-9-21-19(11-15)20(26)12-22(29-21)23(27)25(14-18-3-2-10-28-18)13-16-5-7-17(24)8-6-16/h2-12H,13-14H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-6-methyl-4-oxochromene-2-carboxamide?
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-6-methyl-4-oxochromene-2-carboxamide has a molecular weight of 391.40 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-6-methyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 35342487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).