N-(3-cyanophenyl)-5-(phenoxymethyl)furan-2-carboxamide

C19H14N2O3 — CID 9245570

IUPACN-(3-cyanophenyl)-5-(phenoxymethyl)furan-2-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccc(COc3ccccc3)o2)c1
InChIInChI=1S/C19H14N2O3/c20-12-14-5-4-6-15(11-14)21-19(22)18-10-9-17(24-18)13-23-16-7-2-1-3-8-16/h1-11H,13H2,(H,21,22)
InChIKeyFIVFRHGENZDZNA-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.98
Rot. Bonds5

About N-(3-cyanophenyl)-5-(phenoxymethyl)furan-2-carboxamide

N-(3-cyanophenyl)-5-(phenoxymethyl)furan-2-carboxamide (PubChem CID 9245570) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is N-(3-cyanophenyl)-5-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-5-(phenoxymethyl)furan-2-carboxamide
PubChem CID9245570
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC NameN-(3-cyanophenyl)-5-(phenoxymethyl)furan-2-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccc(COc3ccccc3)o2)c1
InChIInChI=1S/C19H14N2O3/c20-12-14-5-4-6-15(11-14)21-19(22)18-10-9-17(24-18)13-23-16-7-2-1-3-8-16/h1-11H,13H2,(H,21,22)
InChIKeyFIVFRHGENZDZNA-UHFFFAOYSA-N
XLogP3.98
TPSA75.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7464174
5-(phenoxymethyl)-N-(3-sulfamoylphenyl)furan-2-carboxamide
CID 9413056
3-[[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid
CID 17386602
N-[3-(cyanomethoxy)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 55800345
5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 19450839
5-acetamido-N-(3-cyanophenyl)furan-2-carboxamide
CID 110700002
N-(3-acetylphenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 53054149
N-(3-carbamoyl-4-fluorophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 39213699
N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7341802
5-(phenoxymethyl)-N-quinolin-3-ylfuran-2-carboxamide
CID 31031057
N-(2-cyanophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19440079

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-5-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-5-(phenoxymethyl)furan-2-carboxamide (CID 9245570) is N-(3-cyanophenyl)-5-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-5-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-5-(phenoxymethyl)furan-2-carboxamide is N#Cc1cccc(NC(=O)c2ccc(COc3ccccc3)o2)c1.
What is the InChIKey of N-(3-cyanophenyl)-5-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is FIVFRHGENZDZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c20-12-14-5-4-6-15(11-14)21-19(22)18-10-9-17(24-18)13-23-16-7-2-1-3-8-16/h1-11H,13H2,(H,21,22).
What are the key properties of N-(3-cyanophenyl)-5-(phenoxymethyl)furan-2-carboxamide?
N-(3-cyanophenyl)-5-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 318.33 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-5-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 9245570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).