N-(2-hydroxyethyl)-5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide

C25H24F3N3O3 — CID 156814839

IUPACN-(2-hydroxyethyl)-5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
SMILESO=C(NCCO)c1cc(-c2ccccc2)ccc1N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C25H24F3N3O3/c26-25(27,28)19-7-9-23(30-15-19)34-20-10-12-31(16-20)22-8-6-18(17-4-2-1-3-5-17)14-21(22)24(33)29-11-13-32/h1-9,14-15,20,32H,10-13,16H2,(H,29,33)/t20-/m0/s1
InChIKeyVZRPWZYLNAKUNB-FQEVSTJZSA-N
MW471.48 g/mol
LogP4.15
Rot. Bonds7

About N-(2-hydroxyethyl)-5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide

N-(2-hydroxyethyl)-5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide (PubChem CID 156814839) has the molecular formula C25H24F3N3O3 and a molecular weight of 471.48 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
PubChem CID156814839
Molecular FormulaC25H24F3N3O3
Molecular Weight471.48 g/mol
Exact Mass471.18
IUPAC NameN-(2-hydroxyethyl)-5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
SMILESO=C(NCCO)c1cc(-c2ccccc2)ccc1N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C25H24F3N3O3/c26-25(27,28)19-7-9-23(30-15-19)34-20-10-12-31(16-20)22-8-6-18(17-4-2-1-3-5-17)14-21(22)24(33)29-11-13-32/h1-9,14-15,20,32H,10-13,16H2,(H,29,33)/t20-/m0/s1
InChIKeyVZRPWZYLNAKUNB-FQEVSTJZSA-N
XLogP4.15
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Dihydro Silodosin
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6-Cyclopropylmethoxy-N-((trans)-2-hydroxy-cyclohexyl)-5-(4-trifluoromethyl-phenyl)-nicotinamide
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N-(3,3-diphenylpropyl)-6-(2,2,2-trifluoroethoxy)nicotinamide
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N-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
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N-[3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
CID 127044249
pyridin-3-ylmethyl N-[[4-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)benzoyl]amino]phenyl]methyl]carbamate
CID 156781161
4-((3S,4S)-3-Amino-4-hydroxypyrrolidin-1-yl)-N-(4-(chlorodifluoromethoxy)phenyl)-3-(5-fluoropyridin-3-yl)benzamide
CID 89908256
2-[(4-prop-2-enoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 6471437
2-{[(2-tert-butylphenoxy)acetyl]amino}-N-(pyridin-3-ylmethyl)benzamide
CID 6500005
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide (CID 156814839) is N-(2-hydroxyethyl)-5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide is O=C(NCCO)c1cc(-c2ccccc2)ccc1N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of N-(2-hydroxyethyl)-5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
The InChIKey is VZRPWZYLNAKUNB-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H24F3N3O3/c26-25(27,28)19-7-9-23(30-15-19)34-20-10-12-31(16-20)22-8-6-18(17-4-2-1-3-5-17)14-21(22)24(33)29-11-13-32/h1-9,14-15,20,32H,10-13,16H2,(H,29,33)/t20-/m0/s1.
What are the key properties of N-(2-hydroxyethyl)-5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
N-(2-hydroxyethyl)-5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide has a molecular weight of 471.48 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-phenyl-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide is sourced from PubChem (CID 156814839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).