N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-4-fluorobenzamide

C25H20F4N2O2 — CID 55764258

IUPACN-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
SMILESO=C(Cc1ccc2c(c1)CCC2)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F
InChIInChI=1S/C25H20F4N2O2/c26-19-8-6-17(7-9-19)24(33)30-20-10-11-22(21(14-20)25(27,28)29)31-23(32)13-15-4-5-16-2-1-3-18(16)12-15/h4-12,14H,1-3,13H2,(H,30,33)(H,31,32)
InChIKeyUOWBPRZQSFTKAO-UHFFFAOYSA-N
MW456.44 g/mol
LogP5.77
Rot. Bonds5

About N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-4-fluorobenzamide

N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-4-fluorobenzamide (PubChem CID 55764258) has the molecular formula C25H20F4N2O2 and a molecular weight of 456.44 g/mol. Its IUPAC name is N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
PubChem CID55764258
Molecular FormulaC25H20F4N2O2
Molecular Weight456.44 g/mol
Exact Mass456.15
IUPAC NameN-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
SMILESO=C(Cc1ccc2c(c1)CCC2)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F
InChIInChI=1S/C25H20F4N2O2/c26-19-8-6-17(7-9-19)24(33)30-20-10-11-22(21(14-20)25(27,28)29)31-23(32)13-15-4-5-16-2-1-3-18(16)12-15/h4-12,14H,1-3,13H2,(H,30,33)(H,31,32)
InChIKeyUOWBPRZQSFTKAO-UHFFFAOYSA-N
XLogP5.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.44
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765741
4-fluoro-N-[4-[4-(4-methylphenyl)butanoylamino]-3-(trifluoromethyl)phenyl]benzamide
CID 55777625
N-(4-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17495760
4-fluoro-N-[4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 55699425
N-[4-chloro-3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100703046
N-[4-[3-(2,4-dimethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 52638951
N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 112831204
4-fluoro-N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]-3-(trifluoromethyl)phenyl]benzamide
CID 78885374
N-[4-[(4-fluorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782346
N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 8622110
4-fluoro-N-[4-[[2-(3-methoxyphenoxy)acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 112845502
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 1095073

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-4-fluorobenzamide?
The IUPAC name of N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-4-fluorobenzamide (CID 55764258) is N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-4-fluorobenzamide is O=C(Cc1ccc2c(c1)CCC2)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F.
What is the InChIKey of N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-4-fluorobenzamide?
The InChIKey is UOWBPRZQSFTKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4N2O2/c26-19-8-6-17(7-9-19)24(33)30-20-10-11-22(21(14-20)25(27,28)29)31-23(32)13-15-4-5-16-2-1-3-18(16)12-15/h4-12,14H,1-3,13H2,(H,30,33)(H,31,32).
What are the key properties of N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-4-fluorobenzamide?
N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-4-fluorobenzamide has a molecular weight of 456.44 g/mol, XLogP of 5.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 55764258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).