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

C21H13ClF3N3O — CID 155514996

IUPACN-[4-chloro-3-(1H-indazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2ccc3cn[nH]c3c2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H13ClF3N3O/c22-18-7-6-16(10-17(18)12-4-5-14-11-26-28-19(14)9-12)27-20(29)13-2-1-3-15(8-13)21(23,24)25/h1-11H,(H,26,28)(H,27,29)
InChIKeyLNZNERORTWAXSB-UHFFFAOYSA-N
MW415.80 g/mol
LogP6.15
Rot. Bonds3

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

N-[4-chloro-3-(1H-indazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 155514996) has the molecular formula C21H13ClF3N3O and a molecular weight of 415.80 g/mol. Its IUPAC name is N-[4-chloro-3-(1H-indazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(1H-indazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID155514996
Molecular FormulaC21H13ClF3N3O
Molecular Weight415.80 g/mol
Exact Mass415.07
IUPAC NameN-[4-chloro-3-(1H-indazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2ccc3cn[nH]c3c2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H13ClF3N3O/c22-18-7-6-16(10-17(18)12-4-5-14-11-26-28-19(14)9-12)27-20(29)13-2-1-3-15(8-13)21(23,24)25/h1-11H,(H,26,28)(H,27,29)
InChIKeyLNZNERORTWAXSB-UHFFFAOYSA-N
XLogP6.15
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.80
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1H-indazole-5-carboxamide
CID 77844663
N-(7-chloro-1H-indazol-5-yl)-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide
CID 11751266
N-(3,5-dichlorophenyl)-1H-indazole-5-carboxamide
CID 77844662
N-(3,4-dichlorophenyl)-1H-indazole-5-carboxamide
CID 77844601
N-(4-chloro-3-fluorophenyl)-1H-indazole-5-carboxamide
CID 77844664
2-chloro-N-(1H-indazol-5-yl)benzamide
CID 4448318
N-[3-(1H-indazol-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 50997019
1-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
CID 58138845
1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
CID 58138911
N-(3,4-difluorophenyl)-1H-indazole-5-carboxamide
CID 77844665
4-[3-[(2,6-dichlorophenyl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 118888909
1-[(2-chlorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one
CID 129052101

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(1H-indazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-chloro-3-(1H-indazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide (CID 155514996) is N-[4-chloro-3-(1H-indazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-chloro-3-(1H-indazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-chloro-3-(1H-indazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1ccc(Cl)c(-c2ccc3cn[nH]c3c2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(1H-indazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is LNZNERORTWAXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClF3N3O/c22-18-7-6-16(10-17(18)12-4-5-14-11-26-28-19(14)9-12)27-20(29)13-2-1-3-15(8-13)21(23,24)25/h1-11H,(H,26,28)(H,27,29).
What are the key properties of N-[4-chloro-3-(1H-indazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide?
N-[4-chloro-3-(1H-indazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 415.80 g/mol, XLogP of 6.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(1H-indazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 155514996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).