5-[(4-chlorophenoxy)methyl]-N-(4-methylpyridin-1-ium-2-yl)furan-2-carboxamide

C18H16ClN2O3+ — CID 3549006

IUPAC5-[(4-chlorophenoxy)methyl]-N-(4-methylpyridin-1-ium-2-yl)furan-2-carboxamide
SMILESCc1cc[nH+]c(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C18H15ClN2O3/c1-12-8-9-20-17(10-12)21-18(22)16-7-6-15(24-16)11-23-14-4-2-13(19)3-5-14/h2-10H,11H2,1H3,(H,20,21,22)/p+1
InChIKeyAGMLPBPACSPWIL-UHFFFAOYSA-O
MW343.79 g/mol
LogP3.89
Rot. Bonds5

About 5-[(4-chlorophenoxy)methyl]-N-(4-methylpyridin-1-ium-2-yl)furan-2-carboxamide

5-[(4-chlorophenoxy)methyl]-N-(4-methylpyridin-1-ium-2-yl)furan-2-carboxamide (PubChem CID 3549006) has the molecular formula C18H16ClN2O3+ and a molecular weight of 343.79 g/mol. Its IUPAC name is 5-[(4-chlorophenoxy)methyl]-N-(4-methylpyridin-1-ium-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenoxy)methyl]-N-(4-methylpyridin-1-ium-2-yl)furan-2-carboxamide
PubChem CID3549006
Molecular FormulaC18H16ClN2O3+
Molecular Weight343.79 g/mol
Exact Mass343.08
IUPAC Name5-[(4-chlorophenoxy)methyl]-N-(4-methylpyridin-1-ium-2-yl)furan-2-carboxamide
SMILESCc1cc[nH+]c(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C18H15ClN2O3/c1-12-8-9-20-17(10-12)21-18(22)16-7-6-15(24-16)11-23-14-4-2-13(19)3-5-14/h2-10H,11H2,1H3,(H,20,21,22)/p+1
InChIKeyAGMLPBPACSPWIL-UHFFFAOYSA-O
XLogP3.89
TPSA65.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(4-chlorophenoxy)methyl]-N-(4-methylpyridin-1-ium-2-yl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dichlorophenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830642
5-[(4-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19284570
N-tert-butyl-5-[(4-chlorophenoxy)methyl]furan-2-carboxamide
CID 717019
N-(5-chloro-2-methylphenyl)-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19415875
5-[(4-chlorophenoxy)methyl]-N-(4-iodophenyl)furan-2-carboxamide
CID 126206502
5-[(4-chlorophenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 19415409
5-[(4-acetylphenoxy)methyl]-N-(2-fluoro-5-methylphenyl)furan-2-carboxamide
CID 19455249
N-(3-methylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7464174
N'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219836
5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830628
5-[(4-chlorophenoxy)methyl]furan-2-carboxylate
CID 4740544

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenoxy)methyl]-N-(4-methylpyridin-1-ium-2-yl)furan-2-carboxamide?
The IUPAC name of 5-[(4-chlorophenoxy)methyl]-N-(4-methylpyridin-1-ium-2-yl)furan-2-carboxamide (CID 3549006) is 5-[(4-chlorophenoxy)methyl]-N-(4-methylpyridin-1-ium-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenoxy)methyl]-N-(4-methylpyridin-1-ium-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-chlorophenoxy)methyl]-N-(4-methylpyridin-1-ium-2-yl)furan-2-carboxamide is Cc1cc[nH+]c(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)c1.
What is the InChIKey of 5-[(4-chlorophenoxy)methyl]-N-(4-methylpyridin-1-ium-2-yl)furan-2-carboxamide?
The InChIKey is AGMLPBPACSPWIL-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H15ClN2O3/c1-12-8-9-20-17(10-12)21-18(22)16-7-6-15(24-16)11-23-14-4-2-13(19)3-5-14/h2-10H,11H2,1H3,(H,20,21,22)/p+1.
What are the key properties of 5-[(4-chlorophenoxy)methyl]-N-(4-methylpyridin-1-ium-2-yl)furan-2-carboxamide?
5-[(4-chlorophenoxy)methyl]-N-(4-methylpyridin-1-ium-2-yl)furan-2-carboxamide has a molecular weight of 343.79 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenoxy)methyl]-N-(4-methylpyridin-1-ium-2-yl)furan-2-carboxamide is sourced from PubChem (CID 3549006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).