2-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-indole-3-carboxamide

C23H17F3N4O2 — CID 121268204

IUPAC2-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-indole-3-carboxamide
SMILESNC(=O)c1c(-c2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)[nH]c2ccccc12
InChIInChI=1S/C23H17F3N4O2/c24-23(25,26)14-6-4-8-16(12-14)29-22(32)28-15-7-3-5-13(11-15)20-19(21(27)31)17-9-1-2-10-18(17)30-20/h1-12,30H,(H2,27,31)(H2,28,29,32)
InChIKeyHKGOBFRUEVPKJB-UHFFFAOYSA-N
MW438.41 g/mol
LogP5.60
Rot. Bonds4

About 2-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-indole-3-carboxamide

2-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-indole-3-carboxamide (PubChem CID 121268204) has the molecular formula C23H17F3N4O2 and a molecular weight of 438.41 g/mol. Its IUPAC name is 2-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-indole-3-carboxamide
PubChem CID121268204
Molecular FormulaC23H17F3N4O2
Molecular Weight438.41 g/mol
Exact Mass438.13
IUPAC Name2-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-indole-3-carboxamide
SMILESNC(=O)c1c(-c2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)[nH]c2ccccc12
InChIInChI=1S/C23H17F3N4O2/c24-23(25,26)14-6-4-8-16(12-14)29-22(32)28-15-7-3-5-13(11-15)20-19(21(27)31)17-9-1-2-10-18(17)30-20/h1-12,30H,(H2,27,31)(H2,28,29,32)
InChIKeyHKGOBFRUEVPKJB-UHFFFAOYSA-N
XLogP5.60
TPSA100.01 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.41
LogP ≤ 55.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-indole-3-carboxamide?
The IUPAC name of 2-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-indole-3-carboxamide (CID 121268204) is 2-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 2-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-indole-3-carboxamide?
The canonical SMILES for 2-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-indole-3-carboxamide is NC(=O)c1c(-c2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)[nH]c2ccccc12.
What is the InChIKey of 2-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-indole-3-carboxamide?
The InChIKey is HKGOBFRUEVPKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O2/c24-23(25,26)14-6-4-8-16(12-14)29-22(32)28-15-7-3-5-13(11-15)20-19(21(27)31)17-9-1-2-10-18(17)30-20/h1-12,30H,(H2,27,31)(H2,28,29,32).
What are the key properties of 2-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-indole-3-carboxamide?
2-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-indole-3-carboxamide has a molecular weight of 438.41 g/mol, XLogP of 5.60, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 121268204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).