N-(3-cyano-4-fluorophenyl)-3-methylfuran-2-carboxamide

C13H9FN2O2 — CID 62315619

IUPACN-(3-cyano-4-fluorophenyl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C13H9FN2O2/c1-8-4-5-18-12(8)13(17)16-10-2-3-11(14)9(6-10)7-15/h2-6H,1H3,(H,16,17)
InChIKeyPIGLGGNDHVJNIB-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.85
Rot. Bonds2

About N-(3-cyano-4-fluorophenyl)-3-methylfuran-2-carboxamide

N-(3-cyano-4-fluorophenyl)-3-methylfuran-2-carboxamide (PubChem CID 62315619) has the molecular formula C13H9FN2O2 and a molecular weight of 244.22 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)-3-methylfuran-2-carboxamide
PubChem CID62315619
Molecular FormulaC13H9FN2O2
Molecular Weight244.22 g/mol
Exact Mass244.06
IUPAC NameN-(3-cyano-4-fluorophenyl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C13H9FN2O2/c1-8-4-5-18-12(8)13(17)16-10-2-3-11(14)9(6-10)7-15/h2-6H,1H3,(H,16,17)
InChIKeyPIGLGGNDHVJNIB-UHFFFAOYSA-N
XLogP2.85
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyano-4-fluorophenyl)-2,4,6-trimethylbenzamide
CID 62315615
N-[3-(aminomethyl)-4-fluorophenyl]-3-methylfuran-2-carboxamide
CID 62316950
N-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 115745574
5-amino-N-(3-cyano-4-fluorophenyl)-2-methylbenzamide
CID 62318012
N-(3-cyano-4-fluorophenyl)-3-methylpyridine-2-carboxamide
CID 62340831
2-bromo-N-(3-cyano-4-fluorophenyl)-5-methylbenzamide
CID 81004502
propan-2-yl N-(3-cyano-4-fluorophenyl)carbamate
CID 62316495
3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 103707295
N-(4-aminophenyl)-3-methylfuran-2-carboxamide
CID 16772874
N-[3-chloro-4-(7-fluoro-3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
CID 127031845
N-(3-cyano-4-fluorophenyl)thiophene-3-carboxamide
CID 62316846
3-(3-cyano-4-fluorophenyl)-1-ethyl-1-methylurea
CID 78925778

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)-3-methylfuran-2-carboxamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)-3-methylfuran-2-carboxamide (CID 62315619) is N-(3-cyano-4-fluorophenyl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)-3-methylfuran-2-carboxamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)Nc1ccc(F)c(C#N)c1.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)-3-methylfuran-2-carboxamide?
The InChIKey is PIGLGGNDHVJNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O2/c1-8-4-5-18-12(8)13(17)16-10-2-3-11(14)9(6-10)7-15/h2-6H,1H3,(H,16,17).
What are the key properties of N-(3-cyano-4-fluorophenyl)-3-methylfuran-2-carboxamide?
N-(3-cyano-4-fluorophenyl)-3-methylfuran-2-carboxamide has a molecular weight of 244.22 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 62315619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).