N-(1-methylindol-5-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide

C19H15F3N2O — CID 59811456

IUPACN-(1-methylindol-5-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
SMILESCn1ccc2cc(NC(=O)c3ccc(/C=C/C(F)(F)F)cc3)ccc21
InChIInChI=1S/C19H15F3N2O/c1-24-11-9-15-12-16(6-7-17(15)24)23-18(25)14-4-2-13(3-5-14)8-10-19(20,21)22/h2-12H,1H3,(H,23,25)/b10-8+
InChIKeyZWBRPLBTNUZROY-CSKARUKUSA-N
MW344.34 g/mol
LogP5.01
Rot. Bonds3

About N-(1-methylindol-5-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide

N-(1-methylindol-5-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide (PubChem CID 59811456) has the molecular formula C19H15F3N2O and a molecular weight of 344.34 g/mol. Its IUPAC name is N-(1-methylindol-5-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-(1-methylindol-5-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
PubChem CID59811456
Molecular FormulaC19H15F3N2O
Molecular Weight344.34 g/mol
Exact Mass344.11
IUPAC NameN-(1-methylindol-5-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
SMILESCn1ccc2cc(NC(=O)c3ccc(/C=C/C(F)(F)F)cc3)ccc21
InChIInChI=1S/C19H15F3N2O/c1-24-11-9-15-12-16(6-7-17(15)24)23-18(25)14-4-2-13(3-5-14)8-10-19(20,21)22/h2-12H,1H3,(H,23,25)/b10-8+
InChIKeyZWBRPLBTNUZROY-CSKARUKUSA-N
XLogP5.01
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.34
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-(1-methylindol-5-yl)benzamide
CID 70990201
N-(1H-indol-5-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide
CID 72581666
N-(2-chloro-4-pyridinyl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 59811399
3-methoxy-N-(1-methylindol-5-yl)benzamide
CID 110867789
1-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)indole-5-carboxamide
CID 112523570
N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 59811281
N-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 11855182
1-(1-methylindol-5-yl)-3-phenylurea;hydrochloride
CID 45259292
3-amino-3-methyl-N-(1-methylindol-5-yl)butanamide
CID 110838357
N-(1-methylindol-5-yl)-7-azabicyclo[4.2.0]octa-1(6),2-diene-2-carboxamide
CID 143783441
(2S)-2-amino-3-methyl-N-(1-methylindol-5-yl)butanamide
CID 110837856
methyl (E)-3-(1-methylindol-5-yl)prop-2-enoate
CID 67563454

Frequently Asked Questions

What is the IUPAC name of N-(1-methylindol-5-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The IUPAC name of N-(1-methylindol-5-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide (CID 59811456) is N-(1-methylindol-5-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide.
What is the SMILES notation for N-(1-methylindol-5-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The canonical SMILES for N-(1-methylindol-5-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide is Cn1ccc2cc(NC(=O)c3ccc(/C=C/C(F)(F)F)cc3)ccc21.
What is the InChIKey of N-(1-methylindol-5-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The InChIKey is ZWBRPLBTNUZROY-CSKARUKUSA-N. The full InChI is InChI=1S/C19H15F3N2O/c1-24-11-9-15-12-16(6-7-17(15)24)23-18(25)14-4-2-13(3-5-14)8-10-19(20,21)22/h2-12H,1H3,(H,23,25)/b10-8+.
What are the key properties of N-(1-methylindol-5-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
N-(1-methylindol-5-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide has a molecular weight of 344.34 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylindol-5-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide is sourced from PubChem (CID 59811456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).