N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(7-fluoroindol-1-yl)-2-hydroxypropanamide

C19H13F4N3O2 — CID 145175327

IUPACN-[4-cyano-3-(trifluoromethyl)phenyl]-3-(7-fluoroindol-1-yl)-2-hydroxypropanamide
SMILESN#Cc1ccc(NC(=O)C(O)Cn2ccc3cccc(F)c32)cc1C(F)(F)F
InChIInChI=1S/C19H13F4N3O2/c20-15-3-1-2-11-6-7-26(17(11)15)10-16(27)18(28)25-13-5-4-12(9-24)14(8-13)19(21,22)23/h1-8,16,27H,10H2,(H,25,28)
InChIKeyDITHRGXWOQNXFH-UHFFFAOYSA-N
MW391.32 g/mol
LogP3.67
Rot. Bonds4

About N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(7-fluoroindol-1-yl)-2-hydroxypropanamide

N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(7-fluoroindol-1-yl)-2-hydroxypropanamide (PubChem CID 145175327) has the molecular formula C19H13F4N3O2 and a molecular weight of 391.32 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(7-fluoroindol-1-yl)-2-hydroxypropanamide.

Molecular Properties

Compound NameN-[4-cyano-3-(trifluoromethyl)phenyl]-3-(7-fluoroindol-1-yl)-2-hydroxypropanamide
PubChem CID145175327
Molecular FormulaC19H13F4N3O2
Molecular Weight391.32 g/mol
Exact Mass391.09
IUPAC NameN-[4-cyano-3-(trifluoromethyl)phenyl]-3-(7-fluoroindol-1-yl)-2-hydroxypropanamide
SMILESN#Cc1ccc(NC(=O)C(O)Cn2ccc3cccc(F)c32)cc1C(F)(F)F
InChIInChI=1S/C19H13F4N3O2/c20-15-3-1-2-11-6-7-26(17(11)15)10-16(27)18(28)25-13-5-4-12(9-24)14(8-13)19(21,22)23/h1-8,16,27H,10H2,(H,25,28)
InChIKeyDITHRGXWOQNXFH-UHFFFAOYSA-N
XLogP3.67
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 130368990
3-chloro-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 69121812
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-hydroxypropanamide
CID 145175280
(2S)-N-(3-chloro-4-cyanophenyl)-3-(7-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide
CID 122640160
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropanamide
CID 145175272
acetylene;(2S)-3-(5-chloro-6-fluoro-2,3-dihydroindol-1-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 145175325
(2R)-3-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide;2-methylpropanamide
CID 159924354
(2S)-3-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 90327805
2-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]butanamide
CID 65483963
(2S)-3-[4-[(2-chloroacetyl)amino]pyrazol-1-yl]-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 167284258
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 65483769
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide
CID 23134401

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(7-fluoroindol-1-yl)-2-hydroxypropanamide?
The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(7-fluoroindol-1-yl)-2-hydroxypropanamide (CID 145175327) is N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(7-fluoroindol-1-yl)-2-hydroxypropanamide.
What is the SMILES notation for N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(7-fluoroindol-1-yl)-2-hydroxypropanamide?
The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(7-fluoroindol-1-yl)-2-hydroxypropanamide is N#Cc1ccc(NC(=O)C(O)Cn2ccc3cccc(F)c32)cc1C(F)(F)F.
What is the InChIKey of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(7-fluoroindol-1-yl)-2-hydroxypropanamide?
The InChIKey is DITHRGXWOQNXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N3O2/c20-15-3-1-2-11-6-7-26(17(11)15)10-16(27)18(28)25-13-5-4-12(9-24)14(8-13)19(21,22)23/h1-8,16,27H,10H2,(H,25,28).
What are the key properties of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(7-fluoroindol-1-yl)-2-hydroxypropanamide?
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(7-fluoroindol-1-yl)-2-hydroxypropanamide has a molecular weight of 391.32 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(7-fluoroindol-1-yl)-2-hydroxypropanamide is sourced from PubChem (CID 145175327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).