(2R)-N-[(3S)-1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide

C16H21ClFN3O2 — CID 124776756

IUPAC(2R)-N-[(3S)-1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide
SMILESCN1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)C1
InChIInChI=1S/C16H21ClFN3O2/c1-20-6-7-23-15(10-20)16(22)19-11-4-5-21(9-11)12-2-3-14(18)13(17)8-12/h2-3,8,11,15H,4-7,9-10H2,1H3,(H,19,22)/t11-,15+/m0/s1
InChIKeyYMARTQVIEKTQNR-XHDPSFHLSA-N
MW341.81 g/mol
LogP1.50
Rot. Bonds3

About (2R)-N-[(3S)-1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide

(2R)-N-[(3S)-1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide (PubChem CID 124776756) has the molecular formula C16H21ClFN3O2 and a molecular weight of 341.81 g/mol. Its IUPAC name is (2R)-N-[(3S)-1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(3S)-1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide
PubChem CID124776756
Molecular FormulaC16H21ClFN3O2
Molecular Weight341.81 g/mol
Exact Mass341.13
IUPAC Name(2R)-N-[(3S)-1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide
SMILESCN1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)C1
InChIInChI=1S/C16H21ClFN3O2/c1-20-6-7-23-15(10-20)16(22)19-11-4-5-21(9-11)12-2-3-14(18)13(17)8-12/h2-3,8,11,15H,4-7,9-10H2,1H3,(H,19,22)/t11-,15+/m0/s1
InChIKeyYMARTQVIEKTQNR-XHDPSFHLSA-N
XLogP1.50
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.81
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide
CID 84597968
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 86783658
(2S)-N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-4-methylmorpholine-2-carboxamide
CID 97109067
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-2-propan-2-ylsulfonylacetamide
CID 131961110
1-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-(5-hydroxypentan-2-yl)urea
CID 110012736
1-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 110012582
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-5-methylpyrimidin-2-amine
CID 133438905
3-[[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid
CID 122066406
2-[[[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110049763
4-N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 138996052
methyl 6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]pyridazine-3-carboxylate
CID 133438960
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 166203024

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3S)-1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide?
The IUPAC name of (2R)-N-[(3S)-1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide (CID 124776756) is (2R)-N-[(3S)-1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(3S)-1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-N-[(3S)-1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide is CN1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)C1.
What is the InChIKey of (2R)-N-[(3S)-1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide?
The InChIKey is YMARTQVIEKTQNR-XHDPSFHLSA-N. The full InChI is InChI=1S/C16H21ClFN3O2/c1-20-6-7-23-15(10-20)16(22)19-11-4-5-21(9-11)12-2-3-14(18)13(17)8-12/h2-3,8,11,15H,4-7,9-10H2,1H3,(H,19,22)/t11-,15+/m0/s1.
What are the key properties of (2R)-N-[(3S)-1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide?
(2R)-N-[(3S)-1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide has a molecular weight of 341.81 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3S)-1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide is sourced from PubChem (CID 124776756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).