formamide;N-(1-phenylethyl)-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1H-indole-2-carboxamide

C32H27F3N4O3 — CID 142201167

IUPACformamide;N-(1-phenylethyl)-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2[nH]1)c1ccccc1.NC=O
InChIInChI=1S/C31H24F3N3O2.CH3NO/c1-19(20-7-3-2-4-8-20)35-30(39)28-18-22-17-24(15-16-27(22)37-28)36-29(38)26-10-6-5-9-25(26)21-11-13-23(14-12-21)31(32,33)34;2-1-3/h2-19,37H,1H3,(H,35,39)(H,36,38);1H,(H2,2,3)
InChIKeyWIRRGTHEXLCOHC-UHFFFAOYSA-N
MW572.59 g/mol
LogP6.70
Rot. Bonds6

About formamide;N-(1-phenylethyl)-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1H-indole-2-carboxamide

formamide;N-(1-phenylethyl)-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1H-indole-2-carboxamide (PubChem CID 142201167) has the molecular formula C32H27F3N4O3 and a molecular weight of 572.59 g/mol. Its IUPAC name is formamide;N-(1-phenylethyl)-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1H-indole-2-carboxamide.

Molecular Properties

Compound Nameformamide;N-(1-phenylethyl)-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1H-indole-2-carboxamide
PubChem CID142201167
Molecular FormulaC32H27F3N4O3
Molecular Weight572.59 g/mol
Exact Mass572.20
IUPAC Nameformamide;N-(1-phenylethyl)-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2[nH]1)c1ccccc1.NC=O
InChIInChI=1S/C31H24F3N3O2.CH3NO/c1-19(20-7-3-2-4-8-20)35-30(39)28-18-22-17-24(15-16-27(22)37-28)36-29(38)26-10-6-5-9-25(26)21-11-13-23(14-12-21)31(32,33)34;2-1-3/h2-19,37H,1H3,(H,35,39)(H,36,38);1H,(H2,2,3)
InChIKeyWIRRGTHEXLCOHC-UHFFFAOYSA-N
XLogP6.70
TPSA117.08 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.59
LogP ≤ 56.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(1-phenylethyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 123184701
5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 4910187
5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7322417
N-(1-phenylethyl)-5-propan-2-yloxy-1H-indole-2-carboxamide
CID 123445942
5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7323927
N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 167940984
N-(2-methylpropyl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1H-indole-2-carboxamide
CID 83280456
N-[(1R)-1-(4-methylphenyl)ethyl]-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide
CID 59711004
N-[3-(phenylcarbamoyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70143092
N-propan-2-yl-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide
CID 10277298
N-[4-[4-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 20774065
N-[4-[[[2-(pentanoylamino)-2-phenylacetyl]amino]methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 91347044

Frequently Asked Questions

What is the IUPAC name of formamide;N-(1-phenylethyl)-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1H-indole-2-carboxamide?
The IUPAC name of formamide;N-(1-phenylethyl)-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1H-indole-2-carboxamide (CID 142201167) is formamide;N-(1-phenylethyl)-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1H-indole-2-carboxamide.
What is the SMILES notation for formamide;N-(1-phenylethyl)-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1H-indole-2-carboxamide?
The canonical SMILES for formamide;N-(1-phenylethyl)-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1H-indole-2-carboxamide is CC(NC(=O)c1cc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2[nH]1)c1ccccc1.NC=O.
What is the InChIKey of formamide;N-(1-phenylethyl)-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1H-indole-2-carboxamide?
The InChIKey is WIRRGTHEXLCOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24F3N3O2.CH3NO/c1-19(20-7-3-2-4-8-20)35-30(39)28-18-22-17-24(15-16-27(22)37-28)36-29(38)26-10-6-5-9-25(26)21-11-13-23(14-12-21)31(32,33)34;2-1-3/h2-19,37H,1H3,(H,35,39)(H,36,38);1H,(H2,2,3).
What are the key properties of formamide;N-(1-phenylethyl)-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1H-indole-2-carboxamide?
formamide;N-(1-phenylethyl)-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1H-indole-2-carboxamide has a molecular weight of 572.59 g/mol, XLogP of 6.70, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;N-(1-phenylethyl)-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1H-indole-2-carboxamide is sourced from PubChem (CID 142201167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).