(2S,4R)-N,N-diethyl-1-(4-fluorobenzoyl)-4-[(2-methoxyacetyl)amino]pyrrolidine-2-carboxamide

C19H26FN3O4 — CID 72837789

IUPAC(2S,4R)-N,N-diethyl-1-(4-fluorobenzoyl)-4-[(2-methoxyacetyl)amino]pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)COC)CN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C19H26FN3O4/c1-4-22(5-2)19(26)16-10-15(21-17(24)12-27-3)11-23(16)18(25)13-6-8-14(20)9-7-13/h6-9,15-16H,4-5,10-12H2,1-3H3,(H,21,24)/t15-,16+/m1/s1
InChIKeyAOXDYSPUAXRVCD-CVEARBPZSA-N
MW379.43 g/mol
LogP1.04
Rot. Bonds7

About (2S,4R)-N,N-diethyl-1-(4-fluorobenzoyl)-4-[(2-methoxyacetyl)amino]pyrrolidine-2-carboxamide

(2S,4R)-N,N-diethyl-1-(4-fluorobenzoyl)-4-[(2-methoxyacetyl)amino]pyrrolidine-2-carboxamide (PubChem CID 72837789) has the molecular formula C19H26FN3O4 and a molecular weight of 379.43 g/mol. Its IUPAC name is (2S,4R)-N,N-diethyl-1-(4-fluorobenzoyl)-4-[(2-methoxyacetyl)amino]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N,N-diethyl-1-(4-fluorobenzoyl)-4-[(2-methoxyacetyl)amino]pyrrolidine-2-carboxamide
PubChem CID72837789
Molecular FormulaC19H26FN3O4
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC Name(2S,4R)-N,N-diethyl-1-(4-fluorobenzoyl)-4-[(2-methoxyacetyl)amino]pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)COC)CN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C19H26FN3O4/c1-4-22(5-2)19(26)16-10-15(21-17(24)12-27-3)11-23(16)18(25)13-6-8-14(20)9-7-13/h6-9,15-16H,4-5,10-12H2,1-3H3,(H,21,24)/t15-,16+/m1/s1
InChIKeyAOXDYSPUAXRVCD-CVEARBPZSA-N
XLogP1.04
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N,N-diethyl-1-(3-fluorobenzoyl)-4-[(2-hydroxyacetyl)amino]pyrrolidine-2-carboxamide
CID 72864361
(2S,4R)-4-[(2-ethoxyacetyl)amino]-N,N-diethyl-1-(furan-3-carbonyl)pyrrolidine-2-carboxamide
CID 72884874
(2S,4R)-N,N-diethyl-4-[(2-propan-2-yloxyacetyl)amino]-1-(1H-pyrazole-5-carbonyl)pyrrolidine-2-carboxamide
CID 72846828
(2S,4R)-N,N-diethyl-1-(3-methylimidazole-4-carbonyl)-4-(propanoylamino)pyrrolidine-2-carboxamide
CID 72839804
(2S)-N,N-diethyl-1-(4-fluorobenzoyl)-5-oxopyrrolidine-2-carboxamide
CID 21149631
(2S,4R)-4-acetamido-N,N-diethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 72862259
(2S,4R)-4-acetamido-N,N-diethyl-1-[3-(4-fluorophenyl)prop-2-enyl]pyrrolidine-2-carboxamide
CID 91940074
N,N-diethyl-1-(4-fluorobenzoyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42680299
N-ethoxy-1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide
CID 154857645
N-[(3R,5S)-5-(diethylcarbamoyl)-1-(3-hydroxypropanoyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 72854792
(2R)-1-(3,4-difluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide
CID 95196086
(2S,4S)-4-amino-N,N-diethyl-1-(2-methoxypyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
CID 56720191

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N,N-diethyl-1-(4-fluorobenzoyl)-4-[(2-methoxyacetyl)amino]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N,N-diethyl-1-(4-fluorobenzoyl)-4-[(2-methoxyacetyl)amino]pyrrolidine-2-carboxamide (CID 72837789) is (2S,4R)-N,N-diethyl-1-(4-fluorobenzoyl)-4-[(2-methoxyacetyl)amino]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N,N-diethyl-1-(4-fluorobenzoyl)-4-[(2-methoxyacetyl)amino]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N,N-diethyl-1-(4-fluorobenzoyl)-4-[(2-methoxyacetyl)amino]pyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)COC)CN1C(=O)c1ccc(F)cc1.
What is the InChIKey of (2S,4R)-N,N-diethyl-1-(4-fluorobenzoyl)-4-[(2-methoxyacetyl)amino]pyrrolidine-2-carboxamide?
The InChIKey is AOXDYSPUAXRVCD-CVEARBPZSA-N. The full InChI is InChI=1S/C19H26FN3O4/c1-4-22(5-2)19(26)16-10-15(21-17(24)12-27-3)11-23(16)18(25)13-6-8-14(20)9-7-13/h6-9,15-16H,4-5,10-12H2,1-3H3,(H,21,24)/t15-,16+/m1/s1.
What are the key properties of (2S,4R)-N,N-diethyl-1-(4-fluorobenzoyl)-4-[(2-methoxyacetyl)amino]pyrrolidine-2-carboxamide?
(2S,4R)-N,N-diethyl-1-(4-fluorobenzoyl)-4-[(2-methoxyacetyl)amino]pyrrolidine-2-carboxamide has a molecular weight of 379.43 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N,N-diethyl-1-(4-fluorobenzoyl)-4-[(2-methoxyacetyl)amino]pyrrolidine-2-carboxamide is sourced from PubChem (CID 72837789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).