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

C25H20F4N2O2 — CID 55765741

IUPACN-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
SMILESO=C(Cc1ccc2c(c1)CCC2)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F
InChIInChI=1S/C25H20F4N2O2/c26-21-7-2-1-6-19(21)24(33)30-18-10-11-22(20(14-18)25(27,28)29)31-23(32)13-15-8-9-16-4-3-5-17(16)12-15/h1-2,6-12,14H,3-5,13H2,(H,30,33)(H,31,32)
InChIKeyOOQJDSHHVQJXJR-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]-2-fluorobenzamide

N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide (PubChem CID 55765741) 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]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
PubChem CID55765741
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]-2-fluorobenzamide
SMILESO=C(Cc1ccc2c(c1)CCC2)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F
InChIInChI=1S/C25H20F4N2O2/c26-21-7-2-1-6-19(21)24(33)30-18-10-11-22(20(14-18)25(27,28)29)31-23(32)13-15-8-9-16-4-3-5-17(16)12-15/h1-2,6-12,14H,3-5,13H2,(H,30,33)(H,31,32)
InChIKeyOOQJDSHHVQJXJR-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]-4-fluorobenzamide
CID 55764258
2-fluoro-N-[4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 55765240
2-fluoro-N-[4-[[4-(methylsulfanylmethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 55765716
5-bromo-2-fluoro-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide
CID 55765621
N-[4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765550
N-[4-[[4-(diethylaminomethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765297
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 52638821
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55765590
N-[4-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)anilino]-4-oxobutyl]thiophene-2-carboxamide
CID 55765362
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903
N-[4-[[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765591
N-(3,4-difluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 43024786

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide (CID 55765741) is N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide is O=C(Cc1ccc2c(c1)CCC2)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F.
What is the InChIKey of N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide?
The InChIKey is OOQJDSHHVQJXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4N2O2/c26-21-7-2-1-6-19(21)24(33)30-18-10-11-22(20(14-18)25(27,28)29)31-23(32)13-15-8-9-16-4-3-5-17(16)12-15/h1-2,6-12,14H,3-5,13H2,(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]-2-fluorobenzamide?
N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-2-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]-2-fluorobenzamide is sourced from PubChem (CID 55765741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).