N-(2-cyanophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide

C19H13IN2O3 — CID 19440079

IUPACN-(2-cyanophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccc(COc2ccc(I)cc2)o1
InChIInChI=1S/C19H13IN2O3/c20-14-5-7-15(8-6-14)24-12-16-9-10-18(25-16)19(23)22-17-4-2-1-3-13(17)11-21/h1-10H,12H2,(H,22,23)
InChIKeyFFCJWXBHXAQQQG-UHFFFAOYSA-N
MW444.23 g/mol
LogP4.59
Rot. Bonds5

About N-(2-cyanophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide

N-(2-cyanophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide (PubChem CID 19440079) has the molecular formula C19H13IN2O3 and a molecular weight of 444.23 g/mol. Its IUPAC name is N-(2-cyanophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
PubChem CID19440079
Molecular FormulaC19H13IN2O3
Molecular Weight444.23 g/mol
Exact Mass444.00
IUPAC NameN-(2-cyanophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccc(COc2ccc(I)cc2)o1
InChIInChI=1S/C19H13IN2O3/c20-14-5-7-15(8-6-14)24-12-16-9-10-18(25-16)19(23)22-17-4-2-1-3-13(17)11-21/h1-10H,12H2,(H,22,23)
InChIKeyFFCJWXBHXAQQQG-UHFFFAOYSA-N
XLogP4.59
TPSA75.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.23
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanophenyl)-5-[(4-propylphenoxy)methyl]furan-2-carboxamide
CID 19454573
N-(2-hydroxy-4-nitrophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19446067
N-(2-hydroxy-5-nitrophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19446066
N-(2-benzoyl-4-chlorophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19417251
N-(2-chlorophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7679417
5-[(4-iodophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
CID 19417254
5-[(4-chlorophenoxy)methyl]-N-(4-iodophenyl)furan-2-carboxamide
CID 126206502
5-[(4-cyanophenoxy)methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide
CID 86886561
5-[(4-iodophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
CID 19417299
N-(3-cyanophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 9245570
N-(2-hydroxyphenyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19460984
5-[(4-acetylphenoxy)methyl]-N-(2-ethoxyphenyl)furan-2-carboxamide
CID 35529765

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide (CID 19440079) is N-(2-cyanophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide is N#Cc1ccccc1NC(=O)c1ccc(COc2ccc(I)cc2)o1.
What is the InChIKey of N-(2-cyanophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide?
The InChIKey is FFCJWXBHXAQQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13IN2O3/c20-14-5-7-15(8-6-14)24-12-16-9-10-18(25-16)19(23)22-17-4-2-1-3-13(17)11-21/h1-10H,12H2,(H,22,23).
What are the key properties of N-(2-cyanophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide?
N-(2-cyanophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide has a molecular weight of 444.23 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19440079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).