trans-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide

C28H32F6N2O — CID 72703068

IUPACtrans-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide
SMILESCc1ccc2c(c1)C(N[C@@H]1CC[C@@](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(C)C)C1)CC2
InChIInChI=1S/C28H32F6N2O/c1-16(2)26(9-8-22(14-26)36-24-7-6-19-5-4-17(3)10-23(19)24)25(37)35-15-18-11-20(27(29,30)31)13-21(12-18)28(32,33)34/h4-5,10-13,16,22,24,36H,6-9,14-15H2,1-3H3,(H,35,37)/t22-,24?,26+/m1/s1
InChIKeyCYOPVJNXOHCGAT-OVQDZVAUSA-N
MW526.57 g/mol
LogP7.12
Rot. Bonds6

About trans-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide

trans-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide (PubChem CID 72703068) has the molecular formula C28H32F6N2O and a molecular weight of 526.57 g/mol. Its IUPAC name is trans-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide
PubChem CID72703068
Molecular FormulaC28H32F6N2O
Molecular Weight526.57 g/mol
Exact Mass526.24
IUPAC Nametrans-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide
SMILESCc1ccc2c(c1)C(N[C@@H]1CC[C@@](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(C)C)C1)CC2
InChIInChI=1S/C28H32F6N2O/c1-16(2)26(9-8-22(14-26)36-24-7-6-19-5-4-17(3)10-23(19)24)25(37)35-15-18-11-20(27(29,30)31)13-21(12-18)28(32,33)34/h4-5,10-13,16,22,24,36H,6-9,14-15H2,1-3H3,(H,35,37)/t22-,24?,26+/m1/s1
InChIKeyCYOPVJNXOHCGAT-OVQDZVAUSA-N
XLogP7.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.57
LogP ≤ 57.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide?
The IUPAC name of trans-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide (CID 72703068) is trans-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for trans-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide is Cc1ccc2c(c1)C(N[C@@H]1CC[C@@](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(C)C)C1)CC2.
What is the InChIKey of trans-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide?
The InChIKey is CYOPVJNXOHCGAT-OVQDZVAUSA-N. The full InChI is InChI=1S/C28H32F6N2O/c1-16(2)26(9-8-22(14-26)36-24-7-6-19-5-4-17(3)10-23(19)24)25(37)35-15-18-11-20(27(29,30)31)13-21(12-18)28(32,33)34/h4-5,10-13,16,22,24,36H,6-9,14-15H2,1-3H3,(H,35,37)/t22-,24?,26+/m1/s1.
What are the key properties of trans-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide?
trans-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide has a molecular weight of 526.57 g/mol, XLogP of 7.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 72703068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).