5-[(3-chlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide

C17H16ClN3O3 — CID 19292519

IUPAC5-[(3-chlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide
SMILESCn1nccc1CNC(=O)c1ccc(COc2cccc(Cl)c2)o1
InChIInChI=1S/C17H16ClN3O3/c1-21-13(7-8-20-21)10-19-17(22)16-6-5-15(24-16)11-23-14-4-2-3-12(18)9-14/h2-9H,10-11H2,1H3,(H,19,22)
InChIKeyJRHRWTWIPOLWAL-UHFFFAOYSA-N
MW345.79 g/mol
LogP3.18
Rot. Bonds6

About 5-[(3-chlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide

5-[(3-chlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide (PubChem CID 19292519) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is 5-[(3-chlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3-chlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide
PubChem CID19292519
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC Name5-[(3-chlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide
SMILESCn1nccc1CNC(=O)c1ccc(COc2cccc(Cl)c2)o1
InChIInChI=1S/C17H16ClN3O3/c1-21-13(7-8-20-21)10-19-17(22)16-6-5-15(24-16)11-23-14-4-2-3-12(18)9-14/h2-9H,10-11H2,1H3,(H,19,22)
InChIKeyJRHRWTWIPOLWAL-UHFFFAOYSA-N
XLogP3.18
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19292559
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
CID 19296693
5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19446135
5-[(3-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide
CID 19446192
N-[(2-methylpyrazol-3-yl)methyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19292580
5-[(4-methyl-2-nitrophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 19292533
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
CID 19295430
N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19292784
5-[(3-chlorophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide
CID 19446098
N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
CID 996913
N-[(2-ethylpyrazol-3-yl)methyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19294616
5-[(3-chlorophenoxy)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-carboxamide
CID 19446268

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(3-chlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide (CID 19292519) is 5-[(3-chlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(3-chlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(3-chlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide is Cn1nccc1CNC(=O)c1ccc(COc2cccc(Cl)c2)o1.
What is the InChIKey of 5-[(3-chlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide?
The InChIKey is JRHRWTWIPOLWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-21-13(7-8-20-21)10-19-17(22)16-6-5-15(24-16)11-23-14-4-2-3-12(18)9-14/h2-9H,10-11H2,1H3,(H,19,22).
What are the key properties of 5-[(3-chlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide?
5-[(3-chlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide has a molecular weight of 345.79 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 19292519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).