N-(2-benzamido-2,3-dihydro-1H-inden-5-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide

C31H25F3N2O2 — CID 44591235

IUPACN-(2-benzamido-2,3-dihydro-1H-inden-5-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc3c(c2)CC(NC(=O)c2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C31H25F3N2O2/c1-19-6-5-9-27(28(19)20-10-13-24(14-11-20)31(32,33)34)30(38)35-25-15-12-22-16-26(18-23(22)17-25)36-29(37)21-7-3-2-4-8-21/h2-15,17,26H,16,18H2,1H3,(H,35,38)(H,36,37)
InChIKeyBFAQOUITXJUSDO-UHFFFAOYSA-N
MW514.55 g/mol
LogP6.83
Rot. Bonds5

About N-(2-benzamido-2,3-dihydro-1H-inden-5-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide

N-(2-benzamido-2,3-dihydro-1H-inden-5-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 44591235) has the molecular formula C31H25F3N2O2 and a molecular weight of 514.55 g/mol. Its IUPAC name is N-(2-benzamido-2,3-dihydro-1H-inden-5-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(2-benzamido-2,3-dihydro-1H-inden-5-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID44591235
Molecular FormulaC31H25F3N2O2
Molecular Weight514.55 g/mol
Exact Mass514.19
IUPAC NameN-(2-benzamido-2,3-dihydro-1H-inden-5-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc3c(c2)CC(NC(=O)c2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C31H25F3N2O2/c1-19-6-5-9-27(28(19)20-10-13-24(14-11-20)31(32,33)34)30(38)35-25-15-12-22-16-26(18-23(22)17-25)36-29(37)21-7-3-2-4-8-21/h2-15,17,26H,16,18H2,1H3,(H,35,38)(H,36,37)
InChIKeyBFAQOUITXJUSDO-UHFFFAOYSA-N
XLogP6.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.55
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzamido-2,3-dihydro-1H-inden-5-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-(2-benzamido-2,3-dihydro-1H-inden-5-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide (CID 44591235) is N-(2-benzamido-2,3-dihydro-1H-inden-5-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-(2-benzamido-2,3-dihydro-1H-inden-5-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-(2-benzamido-2,3-dihydro-1H-inden-5-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide is Cc1cccc(C(=O)Nc2ccc3c(c2)CC(NC(=O)c2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-benzamido-2,3-dihydro-1H-inden-5-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is BFAQOUITXJUSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F3N2O2/c1-19-6-5-9-27(28(19)20-10-13-24(14-11-20)31(32,33)34)30(38)35-25-15-12-22-16-26(18-23(22)17-25)36-29(37)21-7-3-2-4-8-21/h2-15,17,26H,16,18H2,1H3,(H,35,38)(H,36,37).
What are the key properties of N-(2-benzamido-2,3-dihydro-1H-inden-5-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide?
N-(2-benzamido-2,3-dihydro-1H-inden-5-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 514.55 g/mol, XLogP of 6.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamido-2,3-dihydro-1H-inden-5-yl)-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 44591235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).