5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-1H-indole-2-carboxamide

C20H19F3N4O4 — CID 166375592

IUPAC5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-1H-indole-2-carboxamide
SMILESNC(=O)c1cc2cc(NC(=O)NCC(O)COc3cccc(C(F)(F)F)c3)ccc2[nH]1
InChIInChI=1S/C20H19F3N4O4/c21-20(22,23)12-2-1-3-15(8-12)31-10-14(28)9-25-19(30)26-13-4-5-16-11(6-13)7-17(27-16)18(24)29/h1-8,14,27-28H,9-10H2,(H2,24,29)(H2,25,26,30)
InChIKeyZZMOYUWTQZFDMS-UHFFFAOYSA-N
MW436.39 g/mol
LogP2.85
Rot. Bonds7

About 5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-1H-indole-2-carboxamide

5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-1H-indole-2-carboxamide (PubChem CID 166375592) has the molecular formula C20H19F3N4O4 and a molecular weight of 436.39 g/mol. Its IUPAC name is 5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-1H-indole-2-carboxamide
PubChem CID166375592
Molecular FormulaC20H19F3N4O4
Molecular Weight436.39 g/mol
Exact Mass436.14
IUPAC Name5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-1H-indole-2-carboxamide
SMILESNC(=O)c1cc2cc(NC(=O)NCC(O)COc3cccc(C(F)(F)F)c3)ccc2[nH]1
InChIInChI=1S/C20H19F3N4O4/c21-20(22,23)12-2-1-3-15(8-12)31-10-14(28)9-25-19(30)26-13-4-5-16-11(6-13)7-17(27-16)18(24)29/h1-8,14,27-28H,9-10H2,(H2,24,29)(H2,25,26,30)
InChIKeyZZMOYUWTQZFDMS-UHFFFAOYSA-N
XLogP2.85
TPSA129.47 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 52.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-[3-(2-oxoazetidin-1-yl)phenyl]urea
CID 100737640
N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-6-oxo-1H-pyridine-2-carboxamide
CID 99801130
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-6-oxo-1H-pyridine-2-carboxamide
CID 102563811
N-[3-[[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide
CID 52521347
1-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]cyclopropane-1-carboxamide
CID 119751647
2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride
CID 119304963
1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(2-phenylethyl)urea
CID 22282753
N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 52503690
(2S)-2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-methylbutanamide;hydrochloride
CID 119304985
2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpentanamide;hydrochloride
CID 119751688
(2S)-2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide;hydrochloride
CID 119304969
1-(4-fluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110904652

Frequently Asked Questions

What is the IUPAC name of 5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-1H-indole-2-carboxamide?
The IUPAC name of 5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-1H-indole-2-carboxamide (CID 166375592) is 5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-1H-indole-2-carboxamide?
The canonical SMILES for 5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-1H-indole-2-carboxamide is NC(=O)c1cc2cc(NC(=O)NCC(O)COc3cccc(C(F)(F)F)c3)ccc2[nH]1.
What is the InChIKey of 5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-1H-indole-2-carboxamide?
The InChIKey is ZZMOYUWTQZFDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O4/c21-20(22,23)12-2-1-3-15(8-12)31-10-14(28)9-25-19(30)26-13-4-5-16-11(6-13)7-17(27-16)18(24)29/h1-8,14,27-28H,9-10H2,(H2,24,29)(H2,25,26,30).
What are the key properties of 5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-1H-indole-2-carboxamide?
5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-1H-indole-2-carboxamide has a molecular weight of 436.39 g/mol, XLogP of 2.85, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]carbamoylamino]-1H-indole-2-carboxamide is sourced from PubChem (CID 166375592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).