N-(5-chloro-2-phenoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide

C29H19ClF3N3O3 — CID 18832435

IUPACN-(5-chloro-2-phenoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide
SMILESO=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1
InChIInChI=1S/C29H19ClF3N3O3/c30-18-8-12-25(39-20-4-2-1-3-5-20)23(16-18)34-28(37)17-6-9-19(10-7-17)36-26-21-14-15-38-24(21)13-11-22(26)27(35-36)29(31,32)33/h1-10,12,14-16H,11,13H2,(H,34,37)
InChIKeyYJOBOSFSTTWTOT-UHFFFAOYSA-N
MW549.94 g/mol
LogP7.95
Rot. Bonds5

About N-(5-chloro-2-phenoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide

N-(5-chloro-2-phenoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide (PubChem CID 18832435) has the molecular formula C29H19ClF3N3O3 and a molecular weight of 549.94 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide
PubChem CID18832435
Molecular FormulaC29H19ClF3N3O3
Molecular Weight549.94 g/mol
Exact Mass549.11
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide
SMILESO=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1
InChIInChI=1S/C29H19ClF3N3O3/c30-18-8-12-25(39-20-4-2-1-3-5-20)23(16-18)34-28(37)17-6-9-19(10-7-17)36-26-21-14-15-38-24(21)13-11-22(26)27(35-36)29(31,32)33/h1-10,12,14-16H,11,13H2,(H,34,37)
InChIKeyYJOBOSFSTTWTOT-UHFFFAOYSA-N
XLogP7.95
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.94
LogP ≤ 57.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide
CID 18832367
N-(4-phenyl-1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide
CID 18832471
N'-phenyl-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzohydrazide
CID 18832369
N-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide
CID 18832320
N-(5-chloro-2-phenoxyphenyl)benzamide
CID 956230
N-(5-chloro-2-phenoxyphenyl)-4-methylbenzamide
CID 956260
N-(5-chloro-2-phenoxyphenyl)-4-prop-2-enoxybenzamide
CID 9172914
N-(5-chloro-2-phenoxyphenyl)-3-iodobenzamide
CID 100513507
N-(5-chloro-2-phenoxyphenyl)-6-methoxypyridine-3-carboxamide
CID 30779619
N-(3-chlorophenyl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
CID 4860983
N-[5-chloro-2-(4-methylphenoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 52572154
N-phenyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
CID 4860978

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide (CID 18832435) is N-(5-chloro-2-phenoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide is O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide?
The InChIKey is YJOBOSFSTTWTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19ClF3N3O3/c30-18-8-12-25(39-20-4-2-1-3-5-20)23(16-18)34-28(37)17-6-9-19(10-7-17)36-26-21-14-15-38-24(21)13-11-22(26)27(35-36)29(31,32)33/h1-10,12,14-16H,11,13H2,(H,34,37).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide?
N-(5-chloro-2-phenoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide has a molecular weight of 549.94 g/mol, XLogP of 7.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide is sourced from PubChem (CID 18832435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).