methyl N-[2-[5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]ethyl]carbamate

C28H27F3N2O3 — CID 11145472

IUPACmethyl N-[2-[5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]ethyl]carbamate
SMILESCOC(=O)NCCC1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1
InChIInChI=1S/C28H27F3N2O3/c1-17-4-3-5-24(25(17)19-6-9-22(10-7-19)28(29,30)31)26(34)33-23-11-8-20-14-18(15-21(20)16-23)12-13-32-27(35)36-2/h3-11,16,18H,12-15H2,1-2H3,(H,32,35)(H,33,34)
InChIKeyMYJNLWYXNNVJAZ-UHFFFAOYSA-N
MW496.53 g/mol
LogP6.39
Rot. Bonds6

About methyl N-[2-[5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]ethyl]carbamate

methyl N-[2-[5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]ethyl]carbamate (PubChem CID 11145472) has the molecular formula C28H27F3N2O3 and a molecular weight of 496.53 g/mol. Its IUPAC name is methyl N-[2-[5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]ethyl]carbamate
PubChem CID11145472
Molecular FormulaC28H27F3N2O3
Molecular Weight496.53 g/mol
Exact Mass496.20
IUPAC Namemethyl N-[2-[5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]ethyl]carbamate
SMILESCOC(=O)NCCC1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1
InChIInChI=1S/C28H27F3N2O3/c1-17-4-3-5-24(25(17)19-6-9-22(10-7-19)28(29,30)31)26(34)33-23-11-8-20-14-18(15-21(20)16-23)12-13-32-27(35)36-2/h3-11,16,18H,12-15H2,1-2H3,(H,32,35)(H,33,34)
InChIKeyMYJNLWYXNNVJAZ-UHFFFAOYSA-N
XLogP6.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.53
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl N-[2-[5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]ethyl]carbamate?
The IUPAC name of methyl N-[2-[5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]ethyl]carbamate (CID 11145472) is methyl N-[2-[5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]ethyl]carbamate is COC(=O)NCCC1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1.
What is the InChIKey of methyl N-[2-[5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]ethyl]carbamate?
The InChIKey is MYJNLWYXNNVJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N2O3/c1-17-4-3-5-24(25(17)19-6-9-22(10-7-19)28(29,30)31)26(34)33-23-11-8-20-14-18(15-21(20)16-23)12-13-32-27(35)36-2/h3-11,16,18H,12-15H2,1-2H3,(H,32,35)(H,33,34).
What are the key properties of methyl N-[2-[5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]ethyl]carbamate?
methyl N-[2-[5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]ethyl]carbamate has a molecular weight of 496.53 g/mol, XLogP of 6.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]ethyl]carbamate is sourced from PubChem (CID 11145472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).