N-[2-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]ethyl]-1H-indole-2-carboxamide

C25H21F3N4O2 — CID 141259293

IUPACN-[2-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]ethyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(CCNC(=O)c2cc3ccccc3[nH]2)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H21F3N4O2/c26-25(27,28)18-5-3-6-20(15-18)31-24(34)30-19-10-8-16(9-11-19)12-13-29-23(33)22-14-17-4-1-2-7-21(17)32-22/h1-11,14-15,32H,12-13H2,(H,29,33)(H2,30,31,34)
InChIKeyCFRMKBRWUVJMCE-UHFFFAOYSA-N
MW466.46 g/mol
LogP5.80
Rot. Bonds6

About N-[2-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]ethyl]-1H-indole-2-carboxamide

N-[2-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]ethyl]-1H-indole-2-carboxamide (PubChem CID 141259293) has the molecular formula C25H21F3N4O2 and a molecular weight of 466.46 g/mol. Its IUPAC name is N-[2-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]ethyl]-1H-indole-2-carboxamide
PubChem CID141259293
Molecular FormulaC25H21F3N4O2
Molecular Weight466.46 g/mol
Exact Mass466.16
IUPAC NameN-[2-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]ethyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(CCNC(=O)c2cc3ccccc3[nH]2)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H21F3N4O2/c26-25(27,28)18-5-3-6-20(15-18)31-24(34)30-19-10-8-16(9-11-19)12-13-29-23(33)22-14-17-4-1-2-7-21(17)32-22/h1-11,14-15,32H,12-13H2,(H,29,33)(H2,30,31,34)
InChIKeyCFRMKBRWUVJMCE-UHFFFAOYSA-N
XLogP5.80
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.46
LogP ≤ 55.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1H-indole-2-carboxamide
CID 34509270
1-[2-(4-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 970411
1-(4-hexylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 27255794
N-(2-phenylethyl)-2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 1065454
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 1H-indole-2-carboxylate
CID 7723727
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
1-[2-(3-fluorophenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108901125
1-[4-(pyridin-4-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 10248635
N-(2-pyridin-3-ylethyl)-1H-indole-2-carboxamide
CID 46921183
1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 52596306
N-[3-(2,2,2-trifluoroethoxy)propyl]-1H-indole-2-carboxamide
CID 86930540

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]ethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[2-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]ethyl]-1H-indole-2-carboxamide (CID 141259293) is N-[2-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]ethyl]-1H-indole-2-carboxamide is O=C(Nc1ccc(CCNC(=O)c2cc3ccccc3[nH]2)cc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]ethyl]-1H-indole-2-carboxamide?
The InChIKey is CFRMKBRWUVJMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O2/c26-25(27,28)18-5-3-6-20(15-18)31-24(34)30-19-10-8-16(9-11-19)12-13-29-23(33)22-14-17-4-1-2-7-21(17)32-22/h1-11,14-15,32H,12-13H2,(H,29,33)(H2,30,31,34).
What are the key properties of N-[2-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]ethyl]-1H-indole-2-carboxamide?
N-[2-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]ethyl]-1H-indole-2-carboxamide has a molecular weight of 466.46 g/mol, XLogP of 5.80, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 141259293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).