N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-3-ethylbenzamide

C23H19F2N3O2 — CID 70669783

IUPACN-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-3-ethylbenzamide
SMILESCCc1cccc(C(=O)Nc2n[nH]c3ccc(OCc4cc(F)cc(F)c4)cc23)c1
InChIInChI=1S/C23H19F2N3O2/c1-2-14-4-3-5-16(8-14)23(29)26-22-20-12-19(6-7-21(20)27-28-22)30-13-15-9-17(24)11-18(25)10-15/h3-12H,2,13H2,1H3,(H2,26,27,28,29)
InChIKeyVMRLPMOZOKTUGB-UHFFFAOYSA-N
MW407.42 g/mol
LogP5.23
Rot. Bonds6

About N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-3-ethylbenzamide

N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-3-ethylbenzamide (PubChem CID 70669783) has the molecular formula C23H19F2N3O2 and a molecular weight of 407.42 g/mol. Its IUPAC name is N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-3-ethylbenzamide.

Molecular Properties

Compound NameN-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-3-ethylbenzamide
PubChem CID70669783
Molecular FormulaC23H19F2N3O2
Molecular Weight407.42 g/mol
Exact Mass407.14
IUPAC NameN-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-3-ethylbenzamide
SMILESCCc1cccc(C(=O)Nc2n[nH]c3ccc(OCc4cc(F)cc(F)c4)cc23)c1
InChIInChI=1S/C23H19F2N3O2/c1-2-14-4-3-5-16(8-14)23(29)26-22-20-12-19(6-7-21(20)27-28-22)30-13-15-9-17(24)11-18(25)10-15/h3-12H,2,13H2,1H3,(H2,26,27,28,29)
InChIKeyVMRLPMOZOKTUGB-UHFFFAOYSA-N
XLogP5.23
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.42
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-3-ethylbenzamide?
The IUPAC name of N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-3-ethylbenzamide (CID 70669783) is N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-3-ethylbenzamide.
What is the SMILES notation for N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-3-ethylbenzamide?
The canonical SMILES for N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-3-ethylbenzamide is CCc1cccc(C(=O)Nc2n[nH]c3ccc(OCc4cc(F)cc(F)c4)cc23)c1.
What is the InChIKey of N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-3-ethylbenzamide?
The InChIKey is VMRLPMOZOKTUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O2/c1-2-14-4-3-5-16(8-14)23(29)26-22-20-12-19(6-7-21(20)27-28-22)30-13-15-9-17(24)11-18(25)10-15/h3-12H,2,13H2,1H3,(H2,26,27,28,29).
What are the key properties of N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-3-ethylbenzamide?
N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-3-ethylbenzamide has a molecular weight of 407.42 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,5-difluorophenyl)methoxy]-1H-indazol-3-yl]-3-ethylbenzamide is sourced from PubChem (CID 70669783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).