N-(2-oxopyrrolidin-3-yl)-3-[5-[1-(trifluoromethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]propanamide

C22H21F6N3O2 — CID 169230013

IUPACN-(2-oxopyrrolidin-3-yl)-3-[5-[1-(trifluoromethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]propanamide
SMILESO=C(CCc1cc(C2(C(F)(F)F)CC2)[nH]c1-c1ccc(C(F)(F)F)cc1)NC1CCNC1=O
InChIInChI=1S/C22H21F6N3O2/c23-21(24,25)14-4-1-12(2-5-14)18-13(3-6-17(32)30-15-7-10-29-19(15)33)11-16(31-18)20(8-9-20)22(26,27)28/h1-2,4-5,11,15,31H,3,6-10H2,(H,29,33)(H,30,32)
InChIKeyLYUPEAHOBOYOLY-UHFFFAOYSA-N
MW473.42 g/mol
LogP4.23
Rot. Bonds6

About N-(2-oxopyrrolidin-3-yl)-3-[5-[1-(trifluoromethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]propanamide

N-(2-oxopyrrolidin-3-yl)-3-[5-[1-(trifluoromethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]propanamide (PubChem CID 169230013) has the molecular formula C22H21F6N3O2 and a molecular weight of 473.42 g/mol. Its IUPAC name is N-(2-oxopyrrolidin-3-yl)-3-[5-[1-(trifluoromethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]propanamide.

Molecular Properties

Compound NameN-(2-oxopyrrolidin-3-yl)-3-[5-[1-(trifluoromethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]propanamide
PubChem CID169230013
Molecular FormulaC22H21F6N3O2
Molecular Weight473.42 g/mol
Exact Mass473.15
IUPAC NameN-(2-oxopyrrolidin-3-yl)-3-[5-[1-(trifluoromethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]propanamide
SMILESO=C(CCc1cc(C2(C(F)(F)F)CC2)[nH]c1-c1ccc(C(F)(F)F)cc1)NC1CCNC1=O
InChIInChI=1S/C22H21F6N3O2/c23-21(24,25)14-4-1-12(2-5-14)18-13(3-6-17(32)30-15-7-10-29-19(15)33)11-16(31-18)20(8-9-20)22(26,27)28/h1-2,4-5,11,15,31H,3,6-10H2,(H,29,33)(H,30,32)
InChIKeyLYUPEAHOBOYOLY-UHFFFAOYSA-N
XLogP4.23
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.42
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxopyrrolidin-3-yl)-3-[5-[1-(trifluoromethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]propanamide?
The IUPAC name of N-(2-oxopyrrolidin-3-yl)-3-[5-[1-(trifluoromethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]propanamide (CID 169230013) is N-(2-oxopyrrolidin-3-yl)-3-[5-[1-(trifluoromethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]propanamide.
What is the SMILES notation for N-(2-oxopyrrolidin-3-yl)-3-[5-[1-(trifluoromethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]propanamide?
The canonical SMILES for N-(2-oxopyrrolidin-3-yl)-3-[5-[1-(trifluoromethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]propanamide is O=C(CCc1cc(C2(C(F)(F)F)CC2)[nH]c1-c1ccc(C(F)(F)F)cc1)NC1CCNC1=O.
What is the InChIKey of N-(2-oxopyrrolidin-3-yl)-3-[5-[1-(trifluoromethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]propanamide?
The InChIKey is LYUPEAHOBOYOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F6N3O2/c23-21(24,25)14-4-1-12(2-5-14)18-13(3-6-17(32)30-15-7-10-29-19(15)33)11-16(31-18)20(8-9-20)22(26,27)28/h1-2,4-5,11,15,31H,3,6-10H2,(H,29,33)(H,30,32).
What are the key properties of N-(2-oxopyrrolidin-3-yl)-3-[5-[1-(trifluoromethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]propanamide?
N-(2-oxopyrrolidin-3-yl)-3-[5-[1-(trifluoromethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]propanamide has a molecular weight of 473.42 g/mol, XLogP of 4.23, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopyrrolidin-3-yl)-3-[5-[1-(trifluoromethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]propanamide is sourced from PubChem (CID 169230013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).