5-chloro-N-[4-(1,2-dihydroxyethyl)-3-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide

C18H14ClF3N2O3 — CID 44520840

IUPAC5-chloro-N-[4-(1,2-dihydroxyethyl)-3-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(C(O)CO)c(C(F)(F)F)c1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C18H14ClF3N2O3/c19-10-1-4-14-9(5-10)6-15(24-14)17(27)23-11-2-3-12(16(26)8-25)13(7-11)18(20,21)22/h1-7,16,24-26H,8H2,(H,23,27)
InChIKeyYWSABJGARDVRIO-UHFFFAOYSA-N
MW398.77 g/mol
LogP4.12
Rot. Bonds4

About 5-chloro-N-[4-(1,2-dihydroxyethyl)-3-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide

5-chloro-N-[4-(1,2-dihydroxyethyl)-3-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide (PubChem CID 44520840) has the molecular formula C18H14ClF3N2O3 and a molecular weight of 398.77 g/mol. Its IUPAC name is 5-chloro-N-[4-(1,2-dihydroxyethyl)-3-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(1,2-dihydroxyethyl)-3-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
PubChem CID44520840
Molecular FormulaC18H14ClF3N2O3
Molecular Weight398.77 g/mol
Exact Mass398.06
IUPAC Name5-chloro-N-[4-(1,2-dihydroxyethyl)-3-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(C(O)CO)c(C(F)(F)F)c1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C18H14ClF3N2O3/c19-10-1-4-14-9(5-10)6-15(24-14)17(27)23-11-2-3-12(16(26)8-25)13(7-11)18(20,21)22/h1-7,16,24-26H,8H2,(H,23,27)
InChIKeyYWSABJGARDVRIO-UHFFFAOYSA-N
XLogP4.12
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.77
LogP ≤ 54.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(1,2-dihydroxyethyl)-3-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-(1,2-dihydroxyethyl)-3-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide (CID 44520840) is 5-chloro-N-[4-(1,2-dihydroxyethyl)-3-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(1,2-dihydroxyethyl)-3-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(1,2-dihydroxyethyl)-3-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide is O=C(Nc1ccc(C(O)CO)c(C(F)(F)F)c1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[4-(1,2-dihydroxyethyl)-3-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
The InChIKey is YWSABJGARDVRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N2O3/c19-10-1-4-14-9(5-10)6-15(24-14)17(27)23-11-2-3-12(16(26)8-25)13(7-11)18(20,21)22/h1-7,16,24-26H,8H2,(H,23,27).
What are the key properties of 5-chloro-N-[4-(1,2-dihydroxyethyl)-3-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
5-chloro-N-[4-(1,2-dihydroxyethyl)-3-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide has a molecular weight of 398.77 g/mol, XLogP of 4.12, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(1,2-dihydroxyethyl)-3-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 44520840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).