2-ethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)-4,6-bis(trifluoromethyl)benzamide

C25H28F6N2O2 — CID 59347762

IUPAC2-ethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)-4,6-bis(trifluoromethyl)benzamide
SMILESCCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)NC(c1ccccc1)C(C)(C)N1CCCC1
InChIInChI=1S/C25H28F6N2O2/c1-4-35-19-15-17(24(26,27)28)14-18(25(29,30)31)20(19)22(34)32-21(16-10-6-5-7-11-16)23(2,3)33-12-8-9-13-33/h5-7,10-11,14-15,21H,4,8-9,12-13H2,1-3H3,(H,32,34)
InChIKeyYGRKOUGJYDCGDW-UHFFFAOYSA-N
MW502.50 g/mol
LogP6.47
Rot. Bonds7

About 2-ethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)-4,6-bis(trifluoromethyl)benzamide

2-ethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)-4,6-bis(trifluoromethyl)benzamide (PubChem CID 59347762) has the molecular formula C25H28F6N2O2 and a molecular weight of 502.50 g/mol. Its IUPAC name is 2-ethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)-4,6-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-ethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)-4,6-bis(trifluoromethyl)benzamide
PubChem CID59347762
Molecular FormulaC25H28F6N2O2
Molecular Weight502.50 g/mol
Exact Mass502.21
IUPAC Name2-ethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)-4,6-bis(trifluoromethyl)benzamide
SMILESCCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)NC(c1ccccc1)C(C)(C)N1CCCC1
InChIInChI=1S/C25H28F6N2O2/c1-4-35-19-15-17(24(26,27)28)14-18(25(29,30)31)20(19)22(34)32-21(16-10-6-5-7-11-16)23(2,3)33-12-8-9-13-33/h5-7,10-11,14-15,21H,4,8-9,12-13H2,1-3H3,(H,32,34)
InChIKeyYGRKOUGJYDCGDW-UHFFFAOYSA-N
XLogP6.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.50
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)-2-methylsulfanyl-4,6-bis(trifluoromethyl)benzamide
CID 59347805
bis(2-methoxy-N-[(1R)-2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl]-4,6-bis(trifluoromethyl)benzamide);naphthalene-1,5-disulfonic acid
CID 23634524
2-methoxy-6-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylbutyl)-4-(trifluoromethyl)benzamide
CID 70878782
N-(2,2-dimethyl-1-phenylbutyl)-2-ethyl-4,6-bis(trifluoromethyl)benzamide
CID 143249915
N-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-1-phenylpropyl]-2,4-bis(trifluoromethyl)benzamide
CID 11511128
3-chloro-2,6-dimethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 11654614
3-(1,1-difluoroethyl)-2-methoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 70325594
2,4-dimethyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 59347917
2,4-dichloro-6-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 11509669
4-fluoro-2-methoxy-6-methylsulfanyl-N-[phenyl-(1-pyrrolidin-1-ylcyclopropyl)methyl]benzamide;2-methoxy-N-[phenyl-(1-pyrrolidin-1-ylcyclopropyl)methyl]-4,6-bis(trifluoromethyl)benzamide
CID 87501137
5-bromo-2-methoxy-3-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 59347780
[1-(2-ethoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]hydrazine
CID 105239481

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)-4,6-bis(trifluoromethyl)benzamide?
The IUPAC name of 2-ethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)-4,6-bis(trifluoromethyl)benzamide (CID 59347762) is 2-ethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)-4,6-bis(trifluoromethyl)benzamide.
What is the SMILES notation for 2-ethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)-4,6-bis(trifluoromethyl)benzamide?
The canonical SMILES for 2-ethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)-4,6-bis(trifluoromethyl)benzamide is CCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)NC(c1ccccc1)C(C)(C)N1CCCC1.
What is the InChIKey of 2-ethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)-4,6-bis(trifluoromethyl)benzamide?
The InChIKey is YGRKOUGJYDCGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F6N2O2/c1-4-35-19-15-17(24(26,27)28)14-18(25(29,30)31)20(19)22(34)32-21(16-10-6-5-7-11-16)23(2,3)33-12-8-9-13-33/h5-7,10-11,14-15,21H,4,8-9,12-13H2,1-3H3,(H,32,34).
What are the key properties of 2-ethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)-4,6-bis(trifluoromethyl)benzamide?
2-ethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)-4,6-bis(trifluoromethyl)benzamide has a molecular weight of 502.50 g/mol, XLogP of 6.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)-4,6-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 59347762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).