N-(4-fluorophenyl)-N-(2,4,5-trimethylfuran-3-yl)formamide

C14H14FNO2 — CID 54017336

IUPACN-(4-fluorophenyl)-N-(2,4,5-trimethylfuran-3-yl)formamide
SMILESCc1oc(C)c(N(C=O)c2ccc(F)cc2)c1C
InChIInChI=1S/C14H14FNO2/c1-9-10(2)18-11(3)14(9)16(8-17)13-6-4-12(15)5-7-13/h4-8H,1-3H3
InChIKeyKWMYHKIGDISYBC-UHFFFAOYSA-N
MW247.27 g/mol
LogP3.64
Rot. Bonds3

About N-(4-fluorophenyl)-N-(2,4,5-trimethylfuran-3-yl)formamide

N-(4-fluorophenyl)-N-(2,4,5-trimethylfuran-3-yl)formamide (PubChem CID 54017336) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-(2,4,5-trimethylfuran-3-yl)formamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-(2,4,5-trimethylfuran-3-yl)formamide
PubChem CID54017336
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC NameN-(4-fluorophenyl)-N-(2,4,5-trimethylfuran-3-yl)formamide
SMILESCc1oc(C)c(N(C=O)c2ccc(F)cc2)c1C
InChIInChI=1S/C14H14FNO2/c1-9-10(2)18-11(3)14(9)16(8-17)13-6-4-12(15)5-7-13/h4-8H,1-3H3
InChIKeyKWMYHKIGDISYBC-UHFFFAOYSA-N
XLogP3.64
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-(2,4,5-trimethylfuran-3-yl)formamide?
The IUPAC name of N-(4-fluorophenyl)-N-(2,4,5-trimethylfuran-3-yl)formamide (CID 54017336) is N-(4-fluorophenyl)-N-(2,4,5-trimethylfuran-3-yl)formamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-(2,4,5-trimethylfuran-3-yl)formamide?
The canonical SMILES for N-(4-fluorophenyl)-N-(2,4,5-trimethylfuran-3-yl)formamide is Cc1oc(C)c(N(C=O)c2ccc(F)cc2)c1C.
What is the InChIKey of N-(4-fluorophenyl)-N-(2,4,5-trimethylfuran-3-yl)formamide?
The InChIKey is KWMYHKIGDISYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-9-10(2)18-11(3)14(9)16(8-17)13-6-4-12(15)5-7-13/h4-8H,1-3H3.
What are the key properties of N-(4-fluorophenyl)-N-(2,4,5-trimethylfuran-3-yl)formamide?
N-(4-fluorophenyl)-N-(2,4,5-trimethylfuran-3-yl)formamide has a molecular weight of 247.27 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-(2,4,5-trimethylfuran-3-yl)formamide is sourced from PubChem (CID 54017336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).