(2S,4S)-N,N-diethyl-1-(3-fluorobenzoyl)-4-[(2-hydroxyacetyl)amino]pyrrolidine-2-carboxamide

C18H24FN3O4 — CID 72864361

IUPAC(2S,4S)-N,N-diethyl-1-(3-fluorobenzoyl)-4-[(2-hydroxyacetyl)amino]pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)CO)CN1C(=O)c1cccc(F)c1
InChIInChI=1S/C18H24FN3O4/c1-3-21(4-2)18(26)15-9-14(20-16(24)11-23)10-22(15)17(25)12-6-5-7-13(19)8-12/h5-8,14-15,23H,3-4,9-11H2,1-2H3,(H,20,24)/t14-,15-/m0/s1
InChIKeyYJGAAXUMMUVDPD-GJZGRUSLSA-N
MW365.41 g/mol
LogP0.39
Rot. Bonds6

About (2S,4S)-N,N-diethyl-1-(3-fluorobenzoyl)-4-[(2-hydroxyacetyl)amino]pyrrolidine-2-carboxamide

(2S,4S)-N,N-diethyl-1-(3-fluorobenzoyl)-4-[(2-hydroxyacetyl)amino]pyrrolidine-2-carboxamide (PubChem CID 72864361) has the molecular formula C18H24FN3O4 and a molecular weight of 365.41 g/mol. Its IUPAC name is (2S,4S)-N,N-diethyl-1-(3-fluorobenzoyl)-4-[(2-hydroxyacetyl)amino]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N,N-diethyl-1-(3-fluorobenzoyl)-4-[(2-hydroxyacetyl)amino]pyrrolidine-2-carboxamide
PubChem CID72864361
Molecular FormulaC18H24FN3O4
Molecular Weight365.41 g/mol
Exact Mass365.18
IUPAC Name(2S,4S)-N,N-diethyl-1-(3-fluorobenzoyl)-4-[(2-hydroxyacetyl)amino]pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)CO)CN1C(=O)c1cccc(F)c1
InChIInChI=1S/C18H24FN3O4/c1-3-21(4-2)18(26)15-9-14(20-16(24)11-23)10-22(15)17(25)12-6-5-7-13(19)8-12/h5-8,14-15,23H,3-4,9-11H2,1-2H3,(H,20,24)/t14-,15-/m0/s1
InChIKeyYJGAAXUMMUVDPD-GJZGRUSLSA-N
XLogP0.39
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-N,N-diethyl-1-(4-fluorobenzoyl)-4-[(2-methoxyacetyl)amino]pyrrolidine-2-carboxamide
CID 72837789
(2S,4R)-N,N-diethyl-1-(3-methylimidazole-4-carbonyl)-4-(propanoylamino)pyrrolidine-2-carboxamide
CID 72839804
N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]propanamide
CID 95051620
N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110820378
N-[(3R,5S)-5-(diethylcarbamoyl)-1-(3-hydroxypropanoyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 72854792
(2S,4R)-4-[[3-(dimethylamino)benzoyl]amino]-N,N-diethyl-1-methylpyrrolidine-2-carboxamide
CID 72838638
(2S,4R)-4-acetamido-N,N-diethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 72862259
(2R)-1-(3,4-difluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide
CID 95196086
N-[1-(3-fluorobenzoyl)piperidin-4-yl]pentanamide
CID 110820382
(2R)-1-(3-cyanobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide
CID 95196179
N-[(3R,5S)-1-(cyclobutanecarbonyl)-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-methylpyrrole-2-carboxamide
CID 72924058
(2S,4R)-4-acetamido-N,N-diethyl-1-[3-(4-fluorophenyl)prop-2-enyl]pyrrolidine-2-carboxamide
CID 91940074

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N,N-diethyl-1-(3-fluorobenzoyl)-4-[(2-hydroxyacetyl)amino]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N,N-diethyl-1-(3-fluorobenzoyl)-4-[(2-hydroxyacetyl)amino]pyrrolidine-2-carboxamide (CID 72864361) is (2S,4S)-N,N-diethyl-1-(3-fluorobenzoyl)-4-[(2-hydroxyacetyl)amino]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N,N-diethyl-1-(3-fluorobenzoyl)-4-[(2-hydroxyacetyl)amino]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N,N-diethyl-1-(3-fluorobenzoyl)-4-[(2-hydroxyacetyl)amino]pyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)CO)CN1C(=O)c1cccc(F)c1.
What is the InChIKey of (2S,4S)-N,N-diethyl-1-(3-fluorobenzoyl)-4-[(2-hydroxyacetyl)amino]pyrrolidine-2-carboxamide?
The InChIKey is YJGAAXUMMUVDPD-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H24FN3O4/c1-3-21(4-2)18(26)15-9-14(20-16(24)11-23)10-22(15)17(25)12-6-5-7-13(19)8-12/h5-8,14-15,23H,3-4,9-11H2,1-2H3,(H,20,24)/t14-,15-/m0/s1.
What are the key properties of (2S,4S)-N,N-diethyl-1-(3-fluorobenzoyl)-4-[(2-hydroxyacetyl)amino]pyrrolidine-2-carboxamide?
(2S,4S)-N,N-diethyl-1-(3-fluorobenzoyl)-4-[(2-hydroxyacetyl)amino]pyrrolidine-2-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N,N-diethyl-1-(3-fluorobenzoyl)-4-[(2-hydroxyacetyl)amino]pyrrolidine-2-carboxamide is sourced from PubChem (CID 72864361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).