N-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-phenyl-5-(trifluoromethyl)benzamide;hydrochloride

C23H20ClF3N2O — CID 139919278

IUPACN-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-phenyl-5-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.NC1Cc2ccc(NC(=O)c3cc(C(F)(F)F)ccc3-c3ccccc3)cc2C1
InChIInChI=1S/C23H19F3N2O.ClH/c24-23(25,26)17-7-9-20(14-4-2-1-3-5-14)21(13-17)22(29)28-19-8-6-15-10-18(27)11-16(15)12-19;/h1-9,12-13,18H,10-11,27H2,(H,28,29);1H
InChIKeyLCYCUOZERWYCRK-UHFFFAOYSA-N
MW432.87 g/mol
LogP5.47
Rot. Bonds3

About N-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-phenyl-5-(trifluoromethyl)benzamide;hydrochloride

N-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-phenyl-5-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 139919278) has the molecular formula C23H20ClF3N2O and a molecular weight of 432.87 g/mol. Its IUPAC name is N-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-phenyl-5-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-phenyl-5-(trifluoromethyl)benzamide;hydrochloride
PubChem CID139919278
Molecular FormulaC23H20ClF3N2O
Molecular Weight432.87 g/mol
Exact Mass432.12
IUPAC NameN-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-phenyl-5-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.NC1Cc2ccc(NC(=O)c3cc(C(F)(F)F)ccc3-c3ccccc3)cc2C1
InChIInChI=1S/C23H19F3N2O.ClH/c24-23(25,26)17-7-9-20(14-4-2-1-3-5-14)21(13-17)22(29)28-19-8-6-15-10-18(27)11-16(15)12-19;/h1-9,12-13,18H,10-11,27H2,(H,28,29);1H
InChIKeyLCYCUOZERWYCRK-UHFFFAOYSA-N
XLogP5.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.87
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]benzamide
CID 59943949
5-chloro-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 59943897
N-[2-(ethylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 59943858
N-[2-(cyclohexylsulfamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 58002843
N-[2-(1H-imidazol-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-2-phenyl-5-(trifluoromethyl)benzamide
CID 161065421
N-[2-(propylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 59943847
methyl 4-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]piperazine-1-carboxylate
CID 20772350
N-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 59943885
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-phenyl-5-(trifluoromethyl)benzamide
CID 160823841
[(2S)-5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamic acid
CID 162577425
2-morpholin-4-ylethyl N-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate
CID 59943748
N-[2-(pyridin-3-ylsulfinylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 162577423

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-phenyl-5-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of N-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-phenyl-5-(trifluoromethyl)benzamide;hydrochloride (CID 139919278) is N-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-phenyl-5-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-phenyl-5-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-phenyl-5-(trifluoromethyl)benzamide;hydrochloride is Cl.NC1Cc2ccc(NC(=O)c3cc(C(F)(F)F)ccc3-c3ccccc3)cc2C1.
What is the InChIKey of N-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-phenyl-5-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is LCYCUOZERWYCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O.ClH/c24-23(25,26)17-7-9-20(14-4-2-1-3-5-14)21(13-17)22(29)28-19-8-6-15-10-18(27)11-16(15)12-19;/h1-9,12-13,18H,10-11,27H2,(H,28,29);1H.
What are the key properties of N-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-phenyl-5-(trifluoromethyl)benzamide;hydrochloride?
N-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-phenyl-5-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 432.87 g/mol, XLogP of 5.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-phenyl-5-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 139919278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).