N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide

C21H15ClF3N3O2 — CID 118335502

IUPACN-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cccc(Cl)c12
InChIInChI=1S/C21H15ClF3N3O2/c1-12-15(9-10-30-12)20(29)26-19-18-16(22)3-2-4-17(18)28(27-19)11-13-5-7-14(8-6-13)21(23,24)25/h2-10H,11H2,1H3,(H,26,27,29)
InChIKeyYQXWSUHGHGTKJK-UHFFFAOYSA-N
MW433.82 g/mol
LogP5.91
Rot. Bonds4

About N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide

N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide (PubChem CID 118335502) has the molecular formula C21H15ClF3N3O2 and a molecular weight of 433.82 g/mol. Its IUPAC name is N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide
PubChem CID118335502
Molecular FormulaC21H15ClF3N3O2
Molecular Weight433.82 g/mol
Exact Mass433.08
IUPAC NameN-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cccc(Cl)c12
InChIInChI=1S/C21H15ClF3N3O2/c1-12-15(9-10-30-12)20(29)26-19-18-16(22)3-2-4-17(18)28(27-19)11-13-5-7-14(8-6-13)21(23,24)25/h2-10H,11H2,1H3,(H,26,27,29)
InChIKeyYQXWSUHGHGTKJK-UHFFFAOYSA-N
XLogP5.91
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.82
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-N-(1-((4-(trifluoromethyl)phenyl)methyl)-1H-indazol-3-yl)-3-furancarboxamide
CID 91844684
N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
CID 118326026
N-[1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]indazol-3-yl]furan-3-carboxamide
CID 118326029
N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]furan-3-carboxamide
CID 118335335
N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide
CID 118335350
N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide
CID 118335351
N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]furan-3-carboxamide
CID 118335370
N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide
CID 118335371
N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide
CID 118335373
N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
CID 118335377
2-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
CID 118335379
N-(1-benzylindazol-3-yl)furan-3-carboxamide
CID 118335405

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide (CID 118335502) is N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cccc(Cl)c12.
What is the InChIKey of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide?
The InChIKey is YQXWSUHGHGTKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N3O2/c1-12-15(9-10-30-12)20(29)26-19-18-16(22)3-2-4-17(18)28(27-19)11-13-5-7-14(8-6-13)21(23,24)25/h2-10H,11H2,1H3,(H,26,27,29).
What are the key properties of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide?
N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide has a molecular weight of 433.82 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 118335502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).