N-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]benzamide

C23H18F4N2O — CID 59943949

IUPACN-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]benzamide
SMILESNC1Cc2ccc(NC(=O)c3ccccc3-c3cc(F)cc(C(F)(F)F)c3)cc2C1
InChIInChI=1S/C23H18F4N2O/c24-17-8-15(7-16(12-17)23(25,26)27)20-3-1-2-4-21(20)22(30)29-19-6-5-13-9-18(28)10-14(13)11-19/h1-8,11-12,18H,9-10,28H2,(H,29,30)
InChIKeyDTVQJVIXNYUCOQ-UHFFFAOYSA-N
MW414.40 g/mol
LogP5.19
Rot. Bonds3

About N-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]benzamide

N-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 59943949) has the molecular formula C23H18F4N2O and a molecular weight of 414.40 g/mol. Its IUPAC name is N-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]benzamide
PubChem CID59943949
Molecular FormulaC23H18F4N2O
Molecular Weight414.40 g/mol
Exact Mass414.14
IUPAC NameN-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]benzamide
SMILESNC1Cc2ccc(NC(=O)c3ccccc3-c3cc(F)cc(C(F)(F)F)c3)cc2C1
InChIInChI=1S/C23H18F4N2O/c24-17-8-15(7-16(12-17)23(25,26)27)20-3-1-2-4-21(20)22(30)29-19-6-5-13-9-18(28)10-14(13)11-19/h1-8,11-12,18H,9-10,28H2,(H,29,30)
InChIKeyDTVQJVIXNYUCOQ-UHFFFAOYSA-N
XLogP5.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.40
LogP ≤ 55.19
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-phenyl-5-(trifluoromethyl)benzamide;hydrochloride
CID 139919278
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-(propylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 59943847
2-morpholin-4-ylethyl N-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate
CID 59943748
N-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 59943885
methyl 4-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]piperazine-1-carboxylate
CID 20772350
N-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 139944375
N-[2-(pyridin-3-ylsulfinylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 162577423
N-[2-[(4-methylsulfanylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 54565598
N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-chlorobenzamide
CID 118694639
[(2S)-5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamic acid
CID 162577425

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]benzamide (CID 59943949) is N-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]benzamide is NC1Cc2ccc(NC(=O)c3ccccc3-c3cc(F)cc(C(F)(F)F)c3)cc2C1.
What is the InChIKey of N-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is DTVQJVIXNYUCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N2O/c24-17-8-15(7-16(12-17)23(25,26)27)20-3-1-2-4-21(20)22(30)29-19-6-5-13-9-18(28)10-14(13)11-19/h1-8,11-12,18H,9-10,28H2,(H,29,30).
What are the key properties of N-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]benzamide?
N-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 414.40 g/mol, XLogP of 5.19, 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-[3-fluoro-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 59943949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).