N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide

C16H12ClF3N2O — CID 108991217

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)N1CCc2ccccc21
InChIInChI=1S/C16H12ClF3N2O/c17-11-5-6-13(12(9-11)16(18,19)20)21-15(23)22-8-7-10-3-1-2-4-14(10)22/h1-6,9H,7-8H2,(H,21,23)
InChIKeyMTKNKIBXTNZEDF-UHFFFAOYSA-N
MW340.73 g/mol
LogP4.95
Rot. Bonds1

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 108991217) has the molecular formula C16H12ClF3N2O and a molecular weight of 340.73 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
PubChem CID108991217
Molecular FormulaC16H12ClF3N2O
Molecular Weight340.73 g/mol
Exact Mass340.06
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)N1CCc2ccccc21
InChIInChI=1S/C16H12ClF3N2O/c17-11-5-6-13(12(9-11)16(18,19)20)21-15(23)22-8-7-10-3-1-2-4-14(10)22/h1-6,9H,7-8H2,(H,21,23)
InChIKeyMTKNKIBXTNZEDF-UHFFFAOYSA-N
XLogP4.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.73
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Benzyl-3-(4-chlorophenyl)urea
CID 730667
5-chloro-3-[(2,6-difluorophenyl)methyl]-1H-benzimidazol-2-one
CID 5276377
1-(4-Chlorophenyl)-3-phenethylurea
CID 482058
N-phenyl-2,3-dihydro-1H-indole-1-carboxamide
CID 746892
N-benzyl-N'-(4-chlorophenyl)-N-methylurea
CID 730303
ST51035134
CID 3436734
3-(4-Chloro-2-methylphenyl)-1,1-dibenzylurea
CID 4295485
3-(4-Chloro-2-methylphenyl)-1,1-dibutylurea
CID 4347087
6-chloro-3-[(2,6-difluorophenyl)methyl]-1H-benzimidazol-2-one
CID 5276378
5-chloro-3-[(3,5-dimethylphenyl)methyl]-1H-benzimidazol-2-one
CID 16728447
N-{[1-(3-chlorobenzyl)piperidin-4-yl]methyl}-N'-(4-chlorophenyl)urea
CID 6625088
[(4-chlorophenyl)amino]-N-[2-(4-fluorophenyl)ethyl]carboxamide
CID 4177162

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide (CID 108991217) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)N1CCc2ccccc21.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is MTKNKIBXTNZEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O/c17-11-5-6-13(12(9-11)16(18,19)20)21-15(23)22-8-7-10-3-1-2-4-14(10)22/h1-6,9H,7-8H2,(H,21,23).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 340.73 g/mol, XLogP of 4.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 108991217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).