N-[3-(1H-indazol-6-yl)-4-methoxyphenyl]-3-(trifluoromethyl)benzamide

C22H16F3N3O2 — CID 155536159

IUPACN-[3-(1H-indazol-6-yl)-4-methoxyphenyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2cn[nH]c2c1
InChIInChI=1S/C22H16F3N3O2/c1-30-20-8-7-17(11-18(20)13-5-6-15-12-26-28-19(15)10-13)27-21(29)14-3-2-4-16(9-14)22(23,24)25/h2-12H,1H3,(H,26,28)(H,27,29)
InChIKeyJQYWBNMMSSKERC-UHFFFAOYSA-N
MW411.38 g/mol
LogP5.51
Rot. Bonds4

About N-[3-(1H-indazol-6-yl)-4-methoxyphenyl]-3-(trifluoromethyl)benzamide

N-[3-(1H-indazol-6-yl)-4-methoxyphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 155536159) has the molecular formula C22H16F3N3O2 and a molecular weight of 411.38 g/mol. Its IUPAC name is N-[3-(1H-indazol-6-yl)-4-methoxyphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(1H-indazol-6-yl)-4-methoxyphenyl]-3-(trifluoromethyl)benzamide
PubChem CID155536159
Molecular FormulaC22H16F3N3O2
Molecular Weight411.38 g/mol
Exact Mass411.12
IUPAC NameN-[3-(1H-indazol-6-yl)-4-methoxyphenyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2cn[nH]c2c1
InChIInChI=1S/C22H16F3N3O2/c1-30-20-8-7-17(11-18(20)13-5-6-15-12-26-28-19(15)10-13)27-21(29)14-3-2-4-16(9-14)22(23,24)25/h2-12H,1H3,(H,26,28)(H,27,29)
InChIKeyJQYWBNMMSSKERC-UHFFFAOYSA-N
XLogP5.51
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.38
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-(1H-indazol-6-yl)-4-methoxybenzamide
CID 36561598
N-(1H-indazol-6-yl)-2,6-dimethoxybenzamide
CID 110731190
N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)benzamide
CID 7614437
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380
N-[4-[2-(3,4-dimethoxyanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 44532956
N-[3-(2-aminoquinolin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 59437987
N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzamide
CID 43429418
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 33128215
N-(1H-indazol-6-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 100657277
N-[4-methoxy-3-(4-methoxyphenyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8744983
3-iodo-4-methoxy-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 43878187
N-[4-chloro-3-[2-(methylamino)quinazolin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 58829369

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indazol-6-yl)-4-methoxyphenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(1H-indazol-6-yl)-4-methoxyphenyl]-3-(trifluoromethyl)benzamide (CID 155536159) is N-[3-(1H-indazol-6-yl)-4-methoxyphenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(1H-indazol-6-yl)-4-methoxyphenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(1H-indazol-6-yl)-4-methoxyphenyl]-3-(trifluoromethyl)benzamide is COc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2cn[nH]c2c1.
What is the InChIKey of N-[3-(1H-indazol-6-yl)-4-methoxyphenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is JQYWBNMMSSKERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O2/c1-30-20-8-7-17(11-18(20)13-5-6-15-12-26-28-19(15)10-13)27-21(29)14-3-2-4-16(9-14)22(23,24)25/h2-12H,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[3-(1H-indazol-6-yl)-4-methoxyphenyl]-3-(trifluoromethyl)benzamide?
N-[3-(1H-indazol-6-yl)-4-methoxyphenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 411.38 g/mol, XLogP of 5.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indazol-6-yl)-4-methoxyphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 155536159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).