1-methyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide

C22H22F3N3O2 — CID 167973431

IUPAC1-methyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide
SMILESCn1cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C22H22F3N3O2/c1-27-14-18(17-4-2-3-5-20(17)27)21(29)26-13-15-6-7-16(12-19(15)22(23,24)25)28-8-10-30-11-9-28/h2-7,12,14H,8-11,13H2,1H3,(H,26,29)
InChIKeyYPQKKFVKQFTPLW-UHFFFAOYSA-N
MW417.43 g/mol
LogP3.96
Rot. Bonds4

About 1-methyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide

1-methyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide (PubChem CID 167973431) has the molecular formula C22H22F3N3O2 and a molecular weight of 417.43 g/mol. Its IUPAC name is 1-methyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide
PubChem CID167973431
Molecular FormulaC22H22F3N3O2
Molecular Weight417.43 g/mol
Exact Mass417.17
IUPAC Name1-methyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide
SMILESCn1cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C22H22F3N3O2/c1-27-14-18(17-4-2-3-5-20(17)27)21(29)26-13-15-6-7-16(12-19(15)22(23,24)25)28-8-10-30-11-9-28/h2-7,12,14H,8-11,13H2,1H3,(H,26,29)
InChIKeyYPQKKFVKQFTPLW-UHFFFAOYSA-N
XLogP3.96
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenyl)-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]benzamide
CID 55803637
3-bromo-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55969265
N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1H-indazole-7-carboxamide
CID 138994426
N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide
CID 51118166
N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-3-(phenylcarbamoylamino)propanamide
CID 55803571
2-methyl-1-[(4-methylphenyl)methyl]-3-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111244274
2-methyl-1-(2-methylpropyl)-3-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]guanidine
CID 111180323
2-benzyl-1-ethyl-3-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 110954495
2-methyl-1-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 111135770
1-(2-methoxyethyl)-2-methyl-3-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 110942209
N',3,3-trimethyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111737974
1-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]indole-3-carboxamide
CID 55991087

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide?
The IUPAC name of 1-methyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide (CID 167973431) is 1-methyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide is Cn1cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c2ccccc21.
What is the InChIKey of 1-methyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide?
The InChIKey is YPQKKFVKQFTPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O2/c1-27-14-18(17-4-2-3-5-20(17)27)21(29)26-13-15-6-7-16(12-19(15)22(23,24)25)28-8-10-30-11-9-28/h2-7,12,14H,8-11,13H2,1H3,(H,26,29).
What are the key properties of 1-methyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide?
1-methyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide has a molecular weight of 417.43 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide is sourced from PubChem (CID 167973431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).