N-cyclopropyl-3-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1,5,6,7-tetrahydroindole-2-carboxamide

C21H21F3N2O2 — CID 37483522

IUPACN-cyclopropyl-3-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C21H21F3N2O2/c1-12-18-16(3-2-4-17(18)27)25-19(12)20(28)26(15-9-10-15)11-13-5-7-14(8-6-13)21(22,23)24/h5-8,15,25H,2-4,9-11H2,1H3
InChIKeyUPIIZIMHKYGAKD-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.67
Rot. Bonds4

About N-cyclopropyl-3-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1,5,6,7-tetrahydroindole-2-carboxamide

N-cyclopropyl-3-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 37483522) has the molecular formula C21H21F3N2O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is N-cyclopropyl-3-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID37483522
Molecular FormulaC21H21F3N2O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC NameN-cyclopropyl-3-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C21H21F3N2O2/c1-12-18-16(3-2-4-17(18)27)25-19(12)20(28)26(15-9-10-15)11-13-5-7-14(8-6-13)21(22,23)24/h5-8,15,25H,2-4,9-11H2,1H3
InChIKeyUPIIZIMHKYGAKD-UHFFFAOYSA-N
XLogP4.67
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclopropyl-3-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1,5,6,7-tetrahydroindole-2-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 25352952
N-cyclopropyl-1-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
CID 71909108
4-acetyl-N-cyclopropyl-3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 32589793
N,3-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]-1,5,6,7-tetrahydroindole-2-carboxamide
CID 31683117
N-cyclopropyl-2-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 134004426
N-cyclopropyl-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 78851238
3-methyl-N-[3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclobutyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 166191316
(2-methoxyphenyl) 3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
CID 51175559
3-methyl-4-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide
CID 55962252
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 38710456
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide
CID 78814368
N-[[3-(methoxymethyl)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 47037011

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N-cyclopropyl-3-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1,5,6,7-tetrahydroindole-2-carboxamide (CID 37483522) is N-cyclopropyl-3-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N-cyclopropyl-3-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1,5,6,7-tetrahydroindole-2-carboxamide is Cc1c(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)[nH]c2c1C(=O)CCC2.
What is the InChIKey of N-cyclopropyl-3-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is UPIIZIMHKYGAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O2/c1-12-18-16(3-2-4-17(18)27)25-19(12)20(28)26(15-9-10-15)11-13-5-7-14(8-6-13)21(22,23)24/h5-8,15,25H,2-4,9-11H2,1H3.
What are the key properties of N-cyclopropyl-3-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1,5,6,7-tetrahydroindole-2-carboxamide?
N-cyclopropyl-3-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 390.41 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 37483522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).