N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide

C17H14Cl3N3O3 — CID 19292559

IUPACN-[(2-methylpyrazol-3-yl)methyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
SMILESCn1nccc1CNC(=O)c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1
InChIInChI=1S/C17H14Cl3N3O3/c1-23-11(4-5-22-23)8-21-17(24)15-3-2-12(26-15)9-25-16-13(19)6-10(18)7-14(16)20/h2-7H,8-9H2,1H3,(H,21,24)
InChIKeyGKZMQNGOPGGWKU-UHFFFAOYSA-N
MW414.68 g/mol
LogP4.48
Rot. Bonds6

About N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide

N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19292559) has the molecular formula C17H14Cl3N3O3 and a molecular weight of 414.68 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
PubChem CID19292559
Molecular FormulaC17H14Cl3N3O3
Molecular Weight414.68 g/mol
Exact Mass413.01
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
SMILESCn1nccc1CNC(=O)c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1
InChIInChI=1S/C17H14Cl3N3O3/c1-23-11(4-5-22-23)8-21-17(24)15-3-2-12(26-15)9-25-16-13(19)6-10(18)7-14(16)20/h2-7H,8-9H2,1H3,(H,21,24)
InChIKeyGKZMQNGOPGGWKU-UHFFFAOYSA-N
XLogP4.48
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.68
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-chlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 19292519
N-(furan-2-ylmethyl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415533
methyl 1-methyl-4-[[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylate
CID 19342140
5-[(4-methyl-2-nitrophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 19292533
N-[(2-methylpyrazol-3-yl)methyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19292580
N-[2-(diethylamino)ethyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415635
4-[(2,4-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19292553
N-(1-methylbenzimidazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415493
5-[(2,4-dichlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 4867387
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19456372
N-[(2-ethylpyrazol-3-yl)methyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19294616
5-[(2-chloro-6-methylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19571768

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide (CID 19292559) is N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide is Cn1nccc1CNC(=O)c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is GKZMQNGOPGGWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl3N3O3/c1-23-11(4-5-22-23)8-21-17(24)15-3-2-12(26-15)9-25-16-13(19)6-10(18)7-14(16)20/h2-7H,8-9H2,1H3,(H,21,24).
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 414.68 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19292559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).