N-(1H-indol-5-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide

C18H13F3N2O — CID 72581666

IUPACN-(1H-indol-5-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)c1ccc(C=CC(F)(F)F)cc1
InChIInChI=1S/C18H13F3N2O/c19-18(20,21)9-7-12-1-3-13(4-2-12)17(24)23-15-5-6-16-14(11-15)8-10-22-16/h1-11,22H,(H,23,24)
InChIKeyGBPHLQHPAAKTEK-UHFFFAOYSA-N
MW330.31 g/mol
LogP5.00
Rot. Bonds3

About N-(1H-indol-5-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide

N-(1H-indol-5-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide (PubChem CID 72581666) has the molecular formula C18H13F3N2O and a molecular weight of 330.31 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide
PubChem CID72581666
Molecular FormulaC18H13F3N2O
Molecular Weight330.31 g/mol
Exact Mass330.10
IUPAC NameN-(1H-indol-5-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)c1ccc(C=CC(F)(F)F)cc1
InChIInChI=1S/C18H13F3N2O/c19-18(20,21)9-7-12-1-3-13(4-2-12)17(24)23-15-5-6-16-14(11-15)8-10-22-16/h1-11,22H,(H,23,24)
InChIKeyGBPHLQHPAAKTEK-UHFFFAOYSA-N
XLogP5.00
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-methylindol-5-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 59811456
N-(2-chloro-4-pyridinyl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 59811399
N-(3,4-difluorophenyl)-1H-indole-5-carboxamide
CID 63718780
3,5-dichloro-N-(1H-indol-5-yl)benzamide
CID 171571909
N-(1H-indol-5-yl)prop-2-enamide
CID 61251524
2,2,3,3-tetrafluoro-N-(1H-indol-5-yl)propanamide
CID 103732445
N-(1H-indol-5-yl)-4-pyridin-3-ylbenzamide
CID 59673715
N-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 11855182
N-(1H-indol-5-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 61250452
N-(1H-indol-5-yl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxamide
CID 11559292
N-(4-fluoro-3-methoxyphenyl)-1H-indole-5-carboxamide
CID 114840582
N-(3-chlorophenyl)-1H-indole-5-carboxamide
CID 55230182

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide?
The IUPAC name of N-(1H-indol-5-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide (CID 72581666) is N-(1H-indol-5-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide.
What is the SMILES notation for N-(1H-indol-5-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide?
The canonical SMILES for N-(1H-indol-5-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide is O=C(Nc1ccc2[nH]ccc2c1)c1ccc(C=CC(F)(F)F)cc1.
What is the InChIKey of N-(1H-indol-5-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide?
The InChIKey is GBPHLQHPAAKTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O/c19-18(20,21)9-7-12-1-3-13(4-2-12)17(24)23-15-5-6-16-14(11-15)8-10-22-16/h1-11,22H,(H,23,24).
What are the key properties of N-(1H-indol-5-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide?
N-(1H-indol-5-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide has a molecular weight of 330.31 g/mol, XLogP of 5.00, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide is sourced from PubChem (CID 72581666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).