N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]-3-methoxybenzamide

C23H19F2N3O3 — CID 24954488

IUPACN-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nn(Cc3ccc(OC(F)F)cc3)c3ccccc23)c1
InChIInChI=1S/C23H19F2N3O3/c1-30-18-6-4-5-16(13-18)22(29)26-21-19-7-2-3-8-20(19)28(27-21)14-15-9-11-17(12-10-15)31-23(24)25/h2-13,23H,14H2,1H3,(H,26,27,29)
InChIKeyDDZSBTYUVROPGP-UHFFFAOYSA-N
MW423.42 g/mol
LogP4.95
Rot. Bonds7

About N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]-3-methoxybenzamide

N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]-3-methoxybenzamide (PubChem CID 24954488) has the molecular formula C23H19F2N3O3 and a molecular weight of 423.42 g/mol. Its IUPAC name is N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]-3-methoxybenzamide
PubChem CID24954488
Molecular FormulaC23H19F2N3O3
Molecular Weight423.42 g/mol
Exact Mass423.14
IUPAC NameN-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nn(Cc3ccc(OC(F)F)cc3)c3ccccc23)c1
InChIInChI=1S/C23H19F2N3O3/c1-30-18-6-4-5-16(13-18)22(29)26-21-19-7-2-3-8-20(19)28(27-21)14-15-9-11-17(12-10-15)31-23(24)25/h2-13,23H,14H2,1H3,(H,26,27,29)
InChIKeyDDZSBTYUVROPGP-UHFFFAOYSA-N
XLogP4.95
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]-3-methoxybenzamide?
The IUPAC name of N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]-3-methoxybenzamide (CID 24954488) is N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]-3-methoxybenzamide?
The canonical SMILES for N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2nn(Cc3ccc(OC(F)F)cc3)c3ccccc23)c1.
What is the InChIKey of N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]-3-methoxybenzamide?
The InChIKey is DDZSBTYUVROPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O3/c1-30-18-6-4-5-16(13-18)22(29)26-21-19-7-2-3-8-20(19)28(27-21)14-15-9-11-17(12-10-15)31-23(24)25/h2-13,23H,14H2,1H3,(H,26,27,29).
What are the key properties of N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]-3-methoxybenzamide?
N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]-3-methoxybenzamide has a molecular weight of 423.42 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]-3-methoxybenzamide is sourced from PubChem (CID 24954488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).