N-methyl-2-[6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-indol-3-yl]acetamide

C19H17F3N4O2 — CID 155412401

IUPACN-methyl-2-[6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-indol-3-yl]acetamide
SMILESCNC(=O)Cc1c[nH]c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc12
InChIInChI=1S/C19H17F3N4O2/c1-23-17(27)8-11-10-24-16-9-14(6-7-15(11)16)26-18(28)25-13-4-2-12(3-5-13)19(20,21)22/h2-7,9-10,24H,8H2,1H3,(H,23,27)(H2,25,26,28)
InChIKeyQPJRIBZAKFMVFY-UHFFFAOYSA-N
MW390.37 g/mol
LogP4.12
Rot. Bonds4

About N-methyl-2-[6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-indol-3-yl]acetamide

N-methyl-2-[6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-indol-3-yl]acetamide (PubChem CID 155412401) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is N-methyl-2-[6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-indol-3-yl]acetamide
PubChem CID155412401
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC NameN-methyl-2-[6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-indol-3-yl]acetamide
SMILESCNC(=O)Cc1c[nH]c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc12
InChIInChI=1S/C19H17F3N4O2/c1-23-17(27)8-11-10-24-16-9-14(6-7-15(11)16)26-18(28)25-13-4-2-12(3-5-13)19(20,21)22/h2-7,9-10,24H,8H2,1H3,(H,23,27)(H2,25,26,28)
InChIKeyQPJRIBZAKFMVFY-UHFFFAOYSA-N
XLogP4.12
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 54.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-amino-1H-indol-3-yl)-N-methylacetamide
CID 155392040
1-(4-chloro-3-fluoro-1H-indol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 155412414
2-(1H-indol-3-yl)-N-[3-(methylcarbamoylamino)phenyl]acetamide
CID 38160633
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7960233
N,N-dimethyl-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-indole-4-carboxamide
CID 155411931
6-fluoro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide
CID 113206284
1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 19433217
1-(1H-indazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 108896278
N-methyl-2-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]acetamide
CID 38402676
methyl 4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate
CID 113209461
6-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide
CID 113206647
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113210405

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-indol-3-yl]acetamide?
The IUPAC name of N-methyl-2-[6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-indol-3-yl]acetamide (CID 155412401) is N-methyl-2-[6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-indol-3-yl]acetamide.
What is the SMILES notation for N-methyl-2-[6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-indol-3-yl]acetamide?
The canonical SMILES for N-methyl-2-[6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-indol-3-yl]acetamide is CNC(=O)Cc1c[nH]c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc12.
What is the InChIKey of N-methyl-2-[6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-indol-3-yl]acetamide?
The InChIKey is QPJRIBZAKFMVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-23-17(27)8-11-10-24-16-9-14(6-7-15(11)16)26-18(28)25-13-4-2-12(3-5-13)19(20,21)22/h2-7,9-10,24H,8H2,1H3,(H,23,27)(H2,25,26,28).
What are the key properties of N-methyl-2-[6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-indol-3-yl]acetamide?
N-methyl-2-[6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-indol-3-yl]acetamide has a molecular weight of 390.37 g/mol, XLogP of 4.12, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-indol-3-yl]acetamide is sourced from PubChem (CID 155412401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).