1-[4-(4-chloroindazol-1-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea

C21H13Cl2F3N4O — CID 53492243

IUPAC1-[4-(4-chloroindazol-1-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(-n2ncc3c(Cl)cccc32)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C21H13Cl2F3N4O/c22-17-2-1-3-19-15(17)11-27-30(19)14-7-4-12(5-8-14)28-20(31)29-13-6-9-18(23)16(10-13)21(24,25)26/h1-11H,(H2,28,29,31)
InChIKeyOIMCBTWKWDZEMF-UHFFFAOYSA-N
MW465.26 g/mol
LogP7.00
Rot. Bonds3

About 1-[4-(4-chloroindazol-1-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea

1-[4-(4-chloroindazol-1-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea (PubChem CID 53492243) has the molecular formula C21H13Cl2F3N4O and a molecular weight of 465.26 g/mol. Its IUPAC name is 1-[4-(4-chloroindazol-1-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(4-chloroindazol-1-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
PubChem CID53492243
Molecular FormulaC21H13Cl2F3N4O
Molecular Weight465.26 g/mol
Exact Mass464.04
IUPAC Name1-[4-(4-chloroindazol-1-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(-n2ncc3c(Cl)cccc32)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C21H13Cl2F3N4O/c22-17-2-1-3-19-15(17)11-27-30(19)14-7-4-12(5-8-14)28-20(31)29-13-6-9-18(23)16(10-13)21(24,25)26/h1-11H,(H2,28,29,31)
InChIKeyOIMCBTWKWDZEMF-UHFFFAOYSA-N
XLogP7.00
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.26
LogP ≤ 57.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(3-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-(1H-indazol-4-yl)urea
CID 49803625
1-(2,6-dichlorobenzyl)-3-(1H-indazol-5-yl)urea
CID 17838175
1-[[2-(3-Chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-(1-methylindazol-4-yl)urea
CID 49803911
1-[4-(4-Chloroindazol-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 53492311
1-[4-[4-(Trifluoromethyl)indazol-1-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 53492246
1-[[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea
CID 162652946
1-[[1-(3-Chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1-methylindazol-5-yl)urea
CID 162655034
1-[[1-(3-Chloro-4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1-methylindazol-4-yl)urea
CID 162661378
1-[[1-(4-Chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1-methylindazol-4-yl)urea
CID 162665772
5-chloro-N-(2-methylphenyl)-1H-indazole-1-carboxamide
CID 22510510
5-chloro-N-(2-fluorophenyl)-1H-indazole-1-carboxamide
CID 22510699
5-chloro-N-(2-chloro-4-fluorophenyl)-1H-indazole-1-carboxamide
CID 16016913

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloroindazol-1-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-(4-chloroindazol-1-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea (CID 53492243) is 1-[4-(4-chloroindazol-1-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-(4-chloroindazol-1-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-(4-chloroindazol-1-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(-n2ncc3c(Cl)cccc32)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-(4-chloroindazol-1-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea?
The InChIKey is OIMCBTWKWDZEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2F3N4O/c22-17-2-1-3-19-15(17)11-27-30(19)14-7-4-12(5-8-14)28-20(31)29-13-6-9-18(23)16(10-13)21(24,25)26/h1-11H,(H2,28,29,31).
What are the key properties of 1-[4-(4-chloroindazol-1-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea?
1-[4-(4-chloroindazol-1-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea has a molecular weight of 465.26 g/mol, XLogP of 7.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloroindazol-1-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 53492243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).