N-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-methylindole-3-carboxamide

C26H20F6N2O — CID 42785998

IUPACN-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)N(Cc2ccccc2)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C26H20F6N2O/c1-33-16-22(21-9-5-6-10-23(21)33)24(35)34(14-17-7-3-2-4-8-17)15-18-11-19(25(27,28)29)13-20(12-18)26(30,31)32/h2-13,16H,14-15H2,1H3
InChIKeyOOWWSUKDEAKMLM-UHFFFAOYSA-N
MW490.45 g/mol
LogP7.06
Rot. Bonds5

About N-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-methylindole-3-carboxamide

N-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-methylindole-3-carboxamide (PubChem CID 42785998) has the molecular formula C26H20F6N2O and a molecular weight of 490.45 g/mol. Its IUPAC name is N-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-methylindole-3-carboxamide
PubChem CID42785998
Molecular FormulaC26H20F6N2O
Molecular Weight490.45 g/mol
Exact Mass490.15
IUPAC NameN-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)N(Cc2ccccc2)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C26H20F6N2O/c1-33-16-22(21-9-5-6-10-23(21)33)24(35)34(14-17-7-3-2-4-8-17)15-18-11-19(25(27,28)29)13-20(12-18)26(30,31)32/h2-13,16H,14-15H2,1H3
InChIKeyOOWWSUKDEAKMLM-UHFFFAOYSA-N
XLogP7.06
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.45
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 63650839
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1-methyl-N,N-dipropylindole-3-carboxamide
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1-benzoyl-N,N-dibenzylindole-3-carboxamide
CID 164674380
1-(1-methylindol-3-yl)-3-phenylpropane-1,2-dione
CID 153181750
N-benzyl-2-(1-methylindol-3-yl)-2-oxo-N-propan-2-ylacetamide
CID 113207712
2-[benzyl(methyl)amino]-1-(1-methylindol-3-yl)-2-phenylethanone
CID 174330316
(1-methylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 170857099
N,N-dibenzyl-2-(propylamino)-5-(trifluoromethyl)benzamide
CID 113252829
N-benzyl-2-methoxy-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]benzamide
CID 3546858
1-(1-methylindol-3-yl)-3-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]prop-2-en-1-one
CID 67881191
1-benzyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)indole-3-carboxamide
CID 78820157

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-methylindole-3-carboxamide?
The IUPAC name of N-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-methylindole-3-carboxamide (CID 42785998) is N-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-methylindole-3-carboxamide.
What is the SMILES notation for N-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-methylindole-3-carboxamide?
The canonical SMILES for N-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-methylindole-3-carboxamide is Cn1cc(C(=O)N(Cc2ccccc2)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc21.
What is the InChIKey of N-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-methylindole-3-carboxamide?
The InChIKey is OOWWSUKDEAKMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F6N2O/c1-33-16-22(21-9-5-6-10-23(21)33)24(35)34(14-17-7-3-2-4-8-17)15-18-11-19(25(27,28)29)13-20(12-18)26(30,31)32/h2-13,16H,14-15H2,1H3.
What are the key properties of N-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-methylindole-3-carboxamide?
N-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-methylindole-3-carboxamide has a molecular weight of 490.45 g/mol, XLogP of 7.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-methylindole-3-carboxamide is sourced from PubChem (CID 42785998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).