(5R)-5-[2-[3-chloro-4-(difluoromethyl)phenyl]-2-(5-cyclopropyl-2-pyridinyl)ethyl]pyrrolidin-2-one

C21H21ClF2N2O — CID 151413167

IUPAC(5R)-5-[2-[3-chloro-4-(difluoromethyl)phenyl]-2-(5-cyclopropyl-2-pyridinyl)ethyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](CC(c2ccc(C(F)F)c(Cl)c2)c2ccc(C3CC3)cn2)N1
InChIInChI=1S/C21H21ClF2N2O/c22-18-9-13(3-6-16(18)21(23)24)17(10-15-5-8-20(27)26-15)19-7-4-14(11-25-19)12-1-2-12/h3-4,6-7,9,11-12,15,17,21H,1-2,5,8,10H2,(H,26,27)/t15-,17?/m1/s1
InChIKeyOYYIFXOSLREROU-LDCVWXEPSA-N
MW390.86 g/mol
LogP5.35
Rot. Bonds6

About (5R)-5-[2-[3-chloro-4-(difluoromethyl)phenyl]-2-(5-cyclopropyl-2-pyridinyl)ethyl]pyrrolidin-2-one

(5R)-5-[2-[3-chloro-4-(difluoromethyl)phenyl]-2-(5-cyclopropyl-2-pyridinyl)ethyl]pyrrolidin-2-one (PubChem CID 151413167) has the molecular formula C21H21ClF2N2O and a molecular weight of 390.86 g/mol. Its IUPAC name is (5R)-5-[2-[3-chloro-4-(difluoromethyl)phenyl]-2-(5-cyclopropyl-2-pyridinyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[2-[3-chloro-4-(difluoromethyl)phenyl]-2-(5-cyclopropyl-2-pyridinyl)ethyl]pyrrolidin-2-one
PubChem CID151413167
Molecular FormulaC21H21ClF2N2O
Molecular Weight390.86 g/mol
Exact Mass390.13
IUPAC Name(5R)-5-[2-[3-chloro-4-(difluoromethyl)phenyl]-2-(5-cyclopropyl-2-pyridinyl)ethyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](CC(c2ccc(C(F)F)c(Cl)c2)c2ccc(C3CC3)cn2)N1
InChIInChI=1S/C21H21ClF2N2O/c22-18-9-13(3-6-16(18)21(23)24)17(10-15-5-8-20(27)26-15)19-7-4-14(11-25-19)12-1-2-12/h3-4,6-7,9,11-12,15,17,21H,1-2,5,8,10H2,(H,26,27)/t15-,17?/m1/s1
InChIKeyOYYIFXOSLREROU-LDCVWXEPSA-N
XLogP5.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.86
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide
CID 138490227
(+)-2-chloro-N-(3-(1-(trifluoromethyl)cyclopropyl)-2-(2-(trifluoromethyl)pyridin-5-yl)propyl)benzamide
CID 73673308
2,3-Dichloro-N-[2-(6-cyclopropyl-3-pyridyl)-3-[1-(difluoromethyl)cyclopropyl)propyl]benzamide
CID 86716303
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-[4-(pyridin-2-yl)phenyl]butan-2-aminium; 2,2,2-trifluoroacetate
CID 91895813
4-(4-chlorophenyl)-N-(3-pyridinylmethyl)cyclohexanecarboxamide
CID 2815214
4-(4-chlorophenyl)-N-(4-pyridinylmethyl)cyclohexanecarboxamide
CID 2815215
3-(carbamoylamino)-3-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 4884349
[1-(4-Chlorophenyl)cyclopropyl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 11602307
4-(3-(2-chlorophenyl)propanamido)-N,N-diisopropyl-3-phenyl-2-(pyridin-3-yl)butanamide
CID 16068194
2-(4-tert-butylphenyl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]acetamide
CID 24765307
3-chloro-5-[6-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one
CID 57808466
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(3-pyridin-2-ylpropylamino)methyl]piperidin-1-yl]methanone
CID 132256713

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-[3-chloro-4-(difluoromethyl)phenyl]-2-(5-cyclopropyl-2-pyridinyl)ethyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[2-[3-chloro-4-(difluoromethyl)phenyl]-2-(5-cyclopropyl-2-pyridinyl)ethyl]pyrrolidin-2-one (CID 151413167) is (5R)-5-[2-[3-chloro-4-(difluoromethyl)phenyl]-2-(5-cyclopropyl-2-pyridinyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[2-[3-chloro-4-(difluoromethyl)phenyl]-2-(5-cyclopropyl-2-pyridinyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[2-[3-chloro-4-(difluoromethyl)phenyl]-2-(5-cyclopropyl-2-pyridinyl)ethyl]pyrrolidin-2-one is O=C1CC[C@H](CC(c2ccc(C(F)F)c(Cl)c2)c2ccc(C3CC3)cn2)N1.
What is the InChIKey of (5R)-5-[2-[3-chloro-4-(difluoromethyl)phenyl]-2-(5-cyclopropyl-2-pyridinyl)ethyl]pyrrolidin-2-one?
The InChIKey is OYYIFXOSLREROU-LDCVWXEPSA-N. The full InChI is InChI=1S/C21H21ClF2N2O/c22-18-9-13(3-6-16(18)21(23)24)17(10-15-5-8-20(27)26-15)19-7-4-14(11-25-19)12-1-2-12/h3-4,6-7,9,11-12,15,17,21H,1-2,5,8,10H2,(H,26,27)/t15-,17?/m1/s1.
What are the key properties of (5R)-5-[2-[3-chloro-4-(difluoromethyl)phenyl]-2-(5-cyclopropyl-2-pyridinyl)ethyl]pyrrolidin-2-one?
(5R)-5-[2-[3-chloro-4-(difluoromethyl)phenyl]-2-(5-cyclopropyl-2-pyridinyl)ethyl]pyrrolidin-2-one has a molecular weight of 390.86 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-[3-chloro-4-(difluoromethyl)phenyl]-2-(5-cyclopropyl-2-pyridinyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 151413167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).