(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide

C18H24FN5O — CID 95314664

IUPAC(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
SMILESC[C@H](C(=O)NCCc1ccc(F)cc1)N1CCC[C@@H]1Cn1cncn1
InChIInChI=1S/C18H24FN5O/c1-14(18(25)21-9-8-15-4-6-16(19)7-5-15)24-10-2-3-17(24)11-23-13-20-12-22-23/h4-7,12-14,17H,2-3,8-11H2,1H3,(H,21,25)/t14-,17-/m1/s1
InChIKeyLZGJOTXAXMRUDO-RHSMWYFYSA-N
MW345.42 g/mol
LogP1.63
Rot. Bonds7

About (2R)-N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide

(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide (PubChem CID 95314664) has the molecular formula C18H24FN5O and a molecular weight of 345.42 g/mol. Its IUPAC name is (2R)-N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
PubChem CID95314664
Molecular FormulaC18H24FN5O
Molecular Weight345.42 g/mol
Exact Mass345.20
IUPAC Name(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
SMILESC[C@H](C(=O)NCCc1ccc(F)cc1)N1CCC[C@@H]1Cn1cncn1
InChIInChI=1S/C18H24FN5O/c1-14(18(25)21-9-8-15-4-6-16(19)7-5-15)24-10-2-3-17(24)11-23-13-20-12-22-23/h4-7,12-14,17H,2-3,8-11H2,1H3,(H,21,25)/t14-,17-/m1/s1
InChIKeyLZGJOTXAXMRUDO-RHSMWYFYSA-N
XLogP1.63
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(furan-2-ylmethyl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95313988
(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 129461455
(2R)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95314731
(2R)-N-(2-phenylethyl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 95342886
N-(2-phenylethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146131423
(2S)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95609865
(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 95609906
(2S)-2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94697489
(2S)-N-(1-cyanocyclohexyl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 95609770
(2R)-2-phenyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 129426089
1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 56802694
1-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
CID 42541977

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of (2R)-N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide (CID 95314664) is (2R)-N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide is C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCC[C@@H]1Cn1cncn1.
What is the InChIKey of (2R)-N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
The InChIKey is LZGJOTXAXMRUDO-RHSMWYFYSA-N. The full InChI is InChI=1S/C18H24FN5O/c1-14(18(25)21-9-8-15-4-6-16(19)7-5-15)24-10-2-3-17(24)11-23-13-20-12-22-23/h4-7,12-14,17H,2-3,8-11H2,1H3,(H,21,25)/t14-,17-/m1/s1.
What are the key properties of (2R)-N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide has a molecular weight of 345.42 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 95314664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).