2-fluoro-N-(furan-2-ylmethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide

C21H20FNO3 — CID 19244099

IUPAC2-fluoro-N-(furan-2-ylmethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
SMILESCC1CC1c1ccc(CN(Cc2ccco2)C(=O)c2ccccc2F)o1
InChIInChI=1S/C21H20FNO3/c1-14-11-18(14)20-9-8-16(26-20)13-23(12-15-5-4-10-25-15)21(24)17-6-2-3-7-19(17)22/h2-10,14,18H,11-13H2,1H3
InChIKeySEASQNJPTCJCGU-UHFFFAOYSA-N
MW353.39 g/mol
LogP4.98
Rot. Bonds6

About 2-fluoro-N-(furan-2-ylmethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide

2-fluoro-N-(furan-2-ylmethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide (PubChem CID 19244099) has the molecular formula C21H20FNO3 and a molecular weight of 353.39 g/mol. Its IUPAC name is 2-fluoro-N-(furan-2-ylmethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(furan-2-ylmethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
PubChem CID19244099
Molecular FormulaC21H20FNO3
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC Name2-fluoro-N-(furan-2-ylmethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
SMILESCC1CC1c1ccc(CN(Cc2ccco2)C(=O)c2ccccc2F)o1
InChIInChI=1S/C21H20FNO3/c1-14-11-18(14)20-9-8-16(26-20)13-23(12-15-5-4-10-25-15)21(24)17-6-2-3-7-19(17)22/h2-10,14,18H,11-13H2,1H3
InChIKeySEASQNJPTCJCGU-UHFFFAOYSA-N
XLogP4.98
TPSA46.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(furan-2-ylmethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide?
The IUPAC name of 2-fluoro-N-(furan-2-ylmethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide (CID 19244099) is 2-fluoro-N-(furan-2-ylmethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-(furan-2-ylmethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide?
The canonical SMILES for 2-fluoro-N-(furan-2-ylmethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide is CC1CC1c1ccc(CN(Cc2ccco2)C(=O)c2ccccc2F)o1.
What is the InChIKey of 2-fluoro-N-(furan-2-ylmethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide?
The InChIKey is SEASQNJPTCJCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO3/c1-14-11-18(14)20-9-8-16(26-20)13-23(12-15-5-4-10-25-15)21(24)17-6-2-3-7-19(17)22/h2-10,14,18H,11-13H2,1H3.
What are the key properties of 2-fluoro-N-(furan-2-ylmethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide?
2-fluoro-N-(furan-2-ylmethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide has a molecular weight of 353.39 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(furan-2-ylmethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide is sourced from PubChem (CID 19244099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).