N-[(2-chloro-6-fluorophenyl)methyl]-5-(1H-indazol-3-yl)furan-3-carboxamide

C19H13ClFN3O2 — CID 146637557

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-5-(1H-indazol-3-yl)furan-3-carboxamide
SMILESO=C(NCc1c(F)cccc1Cl)c1coc(-c2n[nH]c3ccccc23)c1
InChIInChI=1S/C19H13ClFN3O2/c20-14-5-3-6-15(21)13(14)9-22-19(25)11-8-17(26-10-11)18-12-4-1-2-7-16(12)23-24-18/h1-8,10H,9H2,(H,22,25)(H,23,24)
InChIKeyAPJNMXKNMOLFDH-UHFFFAOYSA-N
MW369.78 g/mol
LogP4.55
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-5-(1H-indazol-3-yl)furan-3-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-5-(1H-indazol-3-yl)furan-3-carboxamide (PubChem CID 146637557) has the molecular formula C19H13ClFN3O2 and a molecular weight of 369.78 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-5-(1H-indazol-3-yl)furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-5-(1H-indazol-3-yl)furan-3-carboxamide
PubChem CID146637557
Molecular FormulaC19H13ClFN3O2
Molecular Weight369.78 g/mol
Exact Mass369.07
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-5-(1H-indazol-3-yl)furan-3-carboxamide
SMILESO=C(NCc1c(F)cccc1Cl)c1coc(-c2n[nH]c3ccccc23)c1
InChIInChI=1S/C19H13ClFN3O2/c20-14-5-3-6-15(21)13(14)9-22-19(25)11-8-17(26-10-11)18-12-4-1-2-7-16(12)23-24-18/h1-8,10H,9H2,(H,22,25)(H,23,24)
InChIKeyAPJNMXKNMOLFDH-UHFFFAOYSA-N
XLogP4.55
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.78
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 68650924
4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 2804312
N-[(4-chloro-2,6-difluorophenyl)methyl]-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide
CID 135750770
N-[(2-chloro-6-fluorophenyl)methyl]-6-phenylpyridazine-4-carboxamide
CID 139003098
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 18112218
N-(furan-2-ylmethyl)-2-(1H-indazol-3-yl)-1H-indole-6-carboxamide
CID 135531191
N-[(2-chloro-6-fluorophenyl)methyl]-2-hydroxyacetamide
CID 82127264
2,4-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 23019893
N-[(2-chloro-6-fluorophenyl)methyl]-3-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 118753306
N-[(2,6-difluorophenyl)methyl]benzamide
CID 68650306
N-[(4-bromo-2-fluorophenyl)methyl]-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide
CID 135750768
2-(2-chloro-6-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 63310904

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-5-(1H-indazol-3-yl)furan-3-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-5-(1H-indazol-3-yl)furan-3-carboxamide (CID 146637557) is N-[(2-chloro-6-fluorophenyl)methyl]-5-(1H-indazol-3-yl)furan-3-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-5-(1H-indazol-3-yl)furan-3-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-5-(1H-indazol-3-yl)furan-3-carboxamide is O=C(NCc1c(F)cccc1Cl)c1coc(-c2n[nH]c3ccccc23)c1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-5-(1H-indazol-3-yl)furan-3-carboxamide?
The InChIKey is APJNMXKNMOLFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3O2/c20-14-5-3-6-15(21)13(14)9-22-19(25)11-8-17(26-10-11)18-12-4-1-2-7-16(12)23-24-18/h1-8,10H,9H2,(H,22,25)(H,23,24).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-5-(1H-indazol-3-yl)furan-3-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-5-(1H-indazol-3-yl)furan-3-carboxamide has a molecular weight of 369.78 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-5-(1H-indazol-3-yl)furan-3-carboxamide is sourced from PubChem (CID 146637557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).