N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-1H-indole-3-carboxamide

C17H10F6N2O2 — CID 71381239

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-1H-indole-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(O)[nH]c2ccccc12
InChIInChI=1S/C17H10F6N2O2/c18-16(19,20)8-5-9(17(21,22)23)7-10(6-8)24-14(26)13-11-3-1-2-4-12(11)25-15(13)27/h1-7,25,27H,(H,24,26)
InChIKeyCVECRNOOZGFPHM-UHFFFAOYSA-N
MW388.27 g/mol
LogP5.16
Rot. Bonds2

About N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-1H-indole-3-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-1H-indole-3-carboxamide (PubChem CID 71381239) has the molecular formula C17H10F6N2O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-1H-indole-3-carboxamide
PubChem CID71381239
Molecular FormulaC17H10F6N2O2
Molecular Weight388.27 g/mol
Exact Mass388.06
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-1H-indole-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(O)[nH]c2ccccc12
InChIInChI=1S/C17H10F6N2O2/c18-16(19,20)8-5-9(17(21,22)23)7-10(6-8)24-14(26)13-11-3-1-2-4-12(11)25-15(13)27/h1-7,25,27H,(H,24,26)
InChIKeyCVECRNOOZGFPHM-UHFFFAOYSA-N
XLogP5.16
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.27
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-1H-indole-3-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-1H-indole-3-carboxamide (CID 71381239) is N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-1H-indole-3-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-1H-indole-3-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-1H-indole-3-carboxamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(O)[nH]c2ccccc12.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-1H-indole-3-carboxamide?
The InChIKey is CVECRNOOZGFPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F6N2O2/c18-16(19,20)8-5-9(17(21,22)23)7-10(6-8)24-14(26)13-11-3-1-2-4-12(11)25-15(13)27/h1-7,25,27H,(H,24,26).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-1H-indole-3-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-1H-indole-3-carboxamide has a molecular weight of 388.27 g/mol, XLogP of 5.16, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-1H-indole-3-carboxamide is sourced from PubChem (CID 71381239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).