5-[(2-chlorophenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide

C18H16ClN2O3+ — CID 3660032

IUPAC5-[(2-chlorophenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1ccc[nH+]c1)c1ccc(COc2ccccc2Cl)o1
InChIInChI=1S/C18H15ClN2O3/c19-15-5-1-2-6-16(15)23-12-14-7-8-17(24-14)18(22)21-11-13-4-3-9-20-10-13/h1-10H,11-12H2,(H,21,22)/p+1
InChIKeyGCSVQQWPRWWDOG-UHFFFAOYSA-O
MW343.79 g/mol
LogP3.26
Rot. Bonds6

About 5-[(2-chlorophenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide

5-[(2-chlorophenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide (PubChem CID 3660032) has the molecular formula C18H16ClN2O3+ and a molecular weight of 343.79 g/mol. Its IUPAC name is 5-[(2-chlorophenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide
PubChem CID3660032
Molecular FormulaC18H16ClN2O3+
Molecular Weight343.79 g/mol
Exact Mass343.08
IUPAC Name5-[(2-chlorophenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1ccc[nH+]c1)c1ccc(COc2ccccc2Cl)o1
InChIInChI=1S/C18H15ClN2O3/c19-15-5-1-2-6-16(15)23-12-14-7-8-17(24-14)18(22)21-11-13-4-3-9-20-10-13/h1-10H,11-12H2,(H,21,22)/p+1
InChIKeyGCSVQQWPRWWDOG-UHFFFAOYSA-O
XLogP3.26
TPSA65.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-methoxyphenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide
CID 3660443
5-[(2-chlorophenoxy)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-2-carboxamide
CID 4139417
5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 6458696
5-[(2-chlorophenoxy)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide
CID 95753482
5-[(2-chlorophenoxy)methyl]furan-2-carbonyl chloride
CID 19619567
5-[(2-chlorophenoxy)methyl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 95749531
5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19457050
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
CID 19333135
5-[(2-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide
CID 19458803
N-[(4-fluorophenyl)methyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412826
N-butyl-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19415847
N-(cyclopropylmethyl)-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
CID 95756198

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide (CID 3660032) is 5-[(2-chlorophenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-chlorophenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide is O=C(NCc1ccc[nH+]c1)c1ccc(COc2ccccc2Cl)o1.
What is the InChIKey of 5-[(2-chlorophenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide?
The InChIKey is GCSVQQWPRWWDOG-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H15ClN2O3/c19-15-5-1-2-6-16(15)23-12-14-7-8-17(24-14)18(22)21-11-13-4-3-9-20-10-13/h1-10H,11-12H2,(H,21,22)/p+1.
What are the key properties of 5-[(2-chlorophenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide?
5-[(2-chlorophenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide has a molecular weight of 343.79 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 3660032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).