2-fluoro-3-methoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide

C20H28FN3O4 — CID 165427835

IUPAC2-fluoro-3-methoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)NC[C@@H]2CC[C@H](CC(=O)N3CCOCC3)N2C)c1F
InChIInChI=1S/C20H28FN3O4/c1-23-14(12-18(25)24-8-10-28-11-9-24)6-7-15(23)13-22-20(26)16-4-3-5-17(27-2)19(16)21/h3-5,14-15H,6-13H2,1-2H3,(H,22,26)/t14-,15+/m1/s1
InChIKeyKEHITMQIBZREJU-CABCVRRESA-N
MW393.46 g/mol
LogP1.28
Rot. Bonds6

About 2-fluoro-3-methoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide

2-fluoro-3-methoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide (PubChem CID 165427835) has the molecular formula C20H28FN3O4 and a molecular weight of 393.46 g/mol. Its IUPAC name is 2-fluoro-3-methoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-3-methoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide
PubChem CID165427835
Molecular FormulaC20H28FN3O4
Molecular Weight393.46 g/mol
Exact Mass393.21
IUPAC Name2-fluoro-3-methoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)NC[C@@H]2CC[C@H](CC(=O)N3CCOCC3)N2C)c1F
InChIInChI=1S/C20H28FN3O4/c1-23-14(12-18(25)24-8-10-28-11-9-24)6-7-15(23)13-22-20(26)16-4-3-5-17(27-2)19(16)21/h3-5,14-15H,6-13H2,1-2H3,(H,22,26)/t14-,15+/m1/s1
InChIKeyKEHITMQIBZREJU-CABCVRRESA-N
XLogP1.28
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide
CID 166620853
4-chloro-2-hydroxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide
CID 171386005
(E)-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-3-phenylprop-2-enamide
CID 165426080
2-(3-chlorophenyl)-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]acetamide;formic acid
CID 171709665
formic acid;N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-phenylbutanamide
CID 171712151
4,6-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 171910861
methyl 2-[(2R,5S)-5-[[[2-(2-fluorophenyl)benzoyl]amino]methyl]-1-methylpyrrolidin-2-yl]acetate
CID 165421380
1-ethyl-3,5-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]pyrazole-4-carboxamide
CID 166616191
N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-fluoro-3-methoxybenzamide
CID 155996183
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 165422651
2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 47416436
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-hydroxy-2-methylbenzamide
CID 166612366

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide?
The IUPAC name of 2-fluoro-3-methoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide (CID 165427835) is 2-fluoro-3-methoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-3-methoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide?
The canonical SMILES for 2-fluoro-3-methoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide is COc1cccc(C(=O)NC[C@@H]2CC[C@H](CC(=O)N3CCOCC3)N2C)c1F.
What is the InChIKey of 2-fluoro-3-methoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide?
The InChIKey is KEHITMQIBZREJU-CABCVRRESA-N. The full InChI is InChI=1S/C20H28FN3O4/c1-23-14(12-18(25)24-8-10-28-11-9-24)6-7-15(23)13-22-20(26)16-4-3-5-17(27-2)19(16)21/h3-5,14-15H,6-13H2,1-2H3,(H,22,26)/t14-,15+/m1/s1.
What are the key properties of 2-fluoro-3-methoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide?
2-fluoro-3-methoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide has a molecular weight of 393.46 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide is sourced from PubChem (CID 165427835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).