N-(2-methylpropyl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1H-indole-2-carboxamide

C21H20F3N3O2 — CID 83280456

IUPACN-(2-methylpropyl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1H-indole-2-carboxamide
SMILESCC(C)CNC(=O)c1cc2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2[nH]1
InChIInChI=1S/C21H20F3N3O2/c1-12(2)11-25-20(29)18-10-14-9-16(7-8-17(14)27-18)26-19(28)13-3-5-15(6-4-13)21(22,23)24/h3-10,12,27H,11H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyOXRPTBCGIKVKCO-UHFFFAOYSA-N
MW403.40 g/mol
LogP4.82
Rot. Bonds5

About N-(2-methylpropyl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1H-indole-2-carboxamide

N-(2-methylpropyl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1H-indole-2-carboxamide (PubChem CID 83280456) has the molecular formula C21H20F3N3O2 and a molecular weight of 403.40 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1H-indole-2-carboxamide
PubChem CID83280456
Molecular FormulaC21H20F3N3O2
Molecular Weight403.40 g/mol
Exact Mass403.15
IUPAC NameN-(2-methylpropyl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1H-indole-2-carboxamide
SMILESCC(C)CNC(=O)c1cc2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2[nH]1
InChIInChI=1S/C21H20F3N3O2/c1-12(2)11-25-20(29)18-10-14-9-16(7-8-17(14)27-18)26-19(28)13-3-5-15(6-4-13)21(22,23)24/h3-10,12,27H,11H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyOXRPTBCGIKVKCO-UHFFFAOYSA-N
XLogP4.82
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide
CID 83280451
3-N-(2-methylpropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109102234
5-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 11067605
5-N-[2-(methylamino)ethyl]-2-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide
CID 58747078
2-N-(2-aminoethyl)-5-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide
CID 58747054
N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1H-indole-2-carboxamide
CID 34509270
5-[(4-acetylbenzoyl)amino]-1H-indole-2-carboxylic acid
CID 59365027
2-N,5-N-bis[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-6-yl]-1H-indole-2,5-dicarboxamide
CID 20755652
5-acetyl-N-[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide
CID 134285576
6-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 113207376
5-N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-2-N-[2-[2-[(N'-methylcarbamimidoyl)amino]ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide
CID 10461697
formamide;N-(1-phenylethyl)-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1H-indole-2-carboxamide
CID 142201167

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1H-indole-2-carboxamide?
The IUPAC name of N-(2-methylpropyl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1H-indole-2-carboxamide (CID 83280456) is N-(2-methylpropyl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1H-indole-2-carboxamide is CC(C)CNC(=O)c1cc2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2[nH]1.
What is the InChIKey of N-(2-methylpropyl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1H-indole-2-carboxamide?
The InChIKey is OXRPTBCGIKVKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O2/c1-12(2)11-25-20(29)18-10-14-9-16(7-8-17(14)27-18)26-19(28)13-3-5-15(6-4-13)21(22,23)24/h3-10,12,27H,11H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of N-(2-methylpropyl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1H-indole-2-carboxamide?
N-(2-methylpropyl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1H-indole-2-carboxamide has a molecular weight of 403.40 g/mol, XLogP of 4.82, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1H-indole-2-carboxamide is sourced from PubChem (CID 83280456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).