3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide

C19H14F3N3O — CID 158989468

IUPAC3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CC2=Nc3cc(C#N)c(C(F)(F)F)cc3C2)c1
InChIInChI=1S/C19H14F3N3O/c1-24-18(26)12-4-2-3-11(5-12)6-15-7-13-8-16(19(20,21)22)14(10-23)9-17(13)25-15/h2-5,8-9H,6-7H2,1H3,(H,24,26)
InChIKeyMKBRENVYIGEUJK-UHFFFAOYSA-N
MW357.34 g/mol
LogP3.81
Rot. Bonds3

About 3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide

3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide (PubChem CID 158989468) has the molecular formula C19H14F3N3O and a molecular weight of 357.34 g/mol. Its IUPAC name is 3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide
PubChem CID158989468
Molecular FormulaC19H14F3N3O
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC Name3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CC2=Nc3cc(C#N)c(C(F)(F)F)cc3C2)c1
InChIInChI=1S/C19H14F3N3O/c1-24-18(26)12-4-2-3-11(5-12)6-15-7-13-8-16(19(20,21)22)14(10-23)9-17(13)25-15/h2-5,8-9H,6-7H2,1H3,(H,24,26)
InChIKeyMKBRENVYIGEUJK-UHFFFAOYSA-N
XLogP3.81
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]amino]-N-methylbenzamide
CID 158760093
N-hydroxy-3-[(6-methyl-5-methylsulfonyl-3H-indol-2-yl)methyl]benzamide
CID 161335547
3-(cyanomethyl)-N-methylbenzamide
CID 69441046
3-ethyl-N-methylbenzamide
CID 59115297
3-cyano-N-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]benzamide
CID 156549064
3-(aminomethyl)-N-methylbenzamide;ethane
CID 143416429
3-[(2-bromo-4-cyanoanilino)methyl]-N-methylbenzamide
CID 133409033
3-[[cyclobutyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylbenzamide
CID 75434556
4-cyano-N-methyl-2-(trifluoromethyl)benzamide
CID 58243803
N-(3-cyanophenyl)-3-[[methyl-[3-(methylamino)-3-oxopropyl]amino]methyl]benzamide
CID 50949015
N-hydroxy-3-[[6-methylsulfonyl-5-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide
CID 160785610
2-[cyclopropyl-[3-[3-(methylcarbamoyl)phenyl]propanoyl]amino]acetic acid
CID 120517535

Frequently Asked Questions

What is the IUPAC name of 3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide?
The IUPAC name of 3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide (CID 158989468) is 3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide is CNC(=O)c1cccc(CC2=Nc3cc(C#N)c(C(F)(F)F)cc3C2)c1.
What is the InChIKey of 3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide?
The InChIKey is MKBRENVYIGEUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O/c1-24-18(26)12-4-2-3-11(5-12)6-15-7-13-8-16(19(20,21)22)14(10-23)9-17(13)25-15/h2-5,8-9H,6-7H2,1H3,(H,24,26).
What are the key properties of 3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide?
3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide has a molecular weight of 357.34 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 158989468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).