2-(difluoromethoxy)-4-methoxy-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide

C16H17F2N3O3 — CID 124728391

IUPAC2-(difluoromethoxy)-4-methoxy-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCc3[nH]ncc3C2)c(OC(F)F)c1
InChIInChI=1S/C16H17F2N3O3/c1-23-11-3-4-12(14(7-11)24-16(17)18)15(22)20-10-2-5-13-9(6-10)8-19-21-13/h3-4,7-8,10,16H,2,5-6H2,1H3,(H,19,21)(H,20,22)/t10-/m1/s1
InChIKeyDKJLPZATYUJRAW-SNVBAGLBSA-N
MW337.33 g/mol
LogP2.31
Rot. Bonds5

About 2-(difluoromethoxy)-4-methoxy-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide

2-(difluoromethoxy)-4-methoxy-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide (PubChem CID 124728391) has the molecular formula C16H17F2N3O3 and a molecular weight of 337.33 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4-methoxy-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-4-methoxy-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide
PubChem CID124728391
Molecular FormulaC16H17F2N3O3
Molecular Weight337.33 g/mol
Exact Mass337.12
IUPAC Name2-(difluoromethoxy)-4-methoxy-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCc3[nH]ncc3C2)c(OC(F)F)c1
InChIInChI=1S/C16H17F2N3O3/c1-23-11-3-4-12(14(7-11)24-16(17)18)15(22)20-10-2-5-13-9(6-10)8-19-21-13/h3-4,7-8,10,16H,2,5-6H2,1H3,(H,19,21)(H,20,22)/t10-/m1/s1
InChIKeyDKJLPZATYUJRAW-SNVBAGLBSA-N
XLogP2.31
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(difluoromethoxy)-4-methoxy-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide with MolForge

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Related Compounds

5-(3-methoxyphenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1H-pyrazole-4-carboxamide
CID 97117950
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
3-methyl-1-propyl-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]pyrazole-4-carboxamide
CID 97147352
1-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 124738907
5-[(4-fluorophenoxy)methyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)furan-2-carboxamide
CID 126787957
2-chloro-5-(3,3-dimethylbutanoylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 126788691
3-(2-fluorophenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1H-pyrazole-5-carboxamide
CID 97149757
2-(difluoromethoxy)-4-methoxy-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide
CID 119045845
5-benzyl-1-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrazole-4-carboxamide
CID 166218790
3,4-difluoro-N-[2-oxo-2-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)ethyl]benzamide
CID 126792931
1-(2-methoxy-5-methyl-3-pyridinyl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97327551
4-(difluoromethoxy)-2-fluoro-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)benzamide
CID 136564667

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-4-methoxy-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-4-methoxy-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide (CID 124728391) is 2-(difluoromethoxy)-4-methoxy-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-4-methoxy-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-4-methoxy-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide is COc1ccc(C(=O)N[C@@H]2CCc3[nH]ncc3C2)c(OC(F)F)c1.
What is the InChIKey of 2-(difluoromethoxy)-4-methoxy-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide?
The InChIKey is DKJLPZATYUJRAW-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17F2N3O3/c1-23-11-3-4-12(14(7-11)24-16(17)18)15(22)20-10-2-5-13-9(6-10)8-19-21-13/h3-4,7-8,10,16H,2,5-6H2,1H3,(H,19,21)(H,20,22)/t10-/m1/s1.
What are the key properties of 2-(difluoromethoxy)-4-methoxy-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide?
2-(difluoromethoxy)-4-methoxy-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide has a molecular weight of 337.33 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-4-methoxy-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide is sourced from PubChem (CID 124728391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).