(3S)-N-(5-chloro-2-methoxyphenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide

C16H21ClN2O4 — CID 9365005

IUPAC(3S)-N-(5-chloro-2-methoxyphenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOC[C@H](C)N1C[C@@H](C(=O)Nc2cc(Cl)ccc2OC)CC1=O
InChIInChI=1S/C16H21ClN2O4/c1-10(9-22-2)19-8-11(6-15(19)20)16(21)18-13-7-12(17)4-5-14(13)23-3/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,18,21)/t10-,11-/m0/s1
InChIKeyCPKMFMYKMLFXEZ-QWRGUYRKSA-N
MW340.81 g/mol
LogP2.17
Rot. Bonds6

About (3S)-N-(5-chloro-2-methoxyphenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide

(3S)-N-(5-chloro-2-methoxyphenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 9365005) has the molecular formula C16H21ClN2O4 and a molecular weight of 340.81 g/mol. Its IUPAC name is (3S)-N-(5-chloro-2-methoxyphenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-chloro-2-methoxyphenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID9365005
Molecular FormulaC16H21ClN2O4
Molecular Weight340.81 g/mol
Exact Mass340.12
IUPAC Name(3S)-N-(5-chloro-2-methoxyphenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOC[C@H](C)N1C[C@@H](C(=O)Nc2cc(Cl)ccc2OC)CC1=O
InChIInChI=1S/C16H21ClN2O4/c1-10(9-22-2)19-8-11(6-15(19)20)16(21)18-13-7-12(17)4-5-14(13)23-3/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,18,21)/t10-,11-/m0/s1
InChIKeyCPKMFMYKMLFXEZ-QWRGUYRKSA-N
XLogP2.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(2-chlorophenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365110
(3S)-N-(2-chlorophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365109
(3S)-N-(3-chlorophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 41066163
(3R)-N-(2,3-dichlorophenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365195
N-(2,4-difluorophenyl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17187461
(3S)-N-(5-chloro-2-pyridinyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9364894
(3S)-N-(5-chloro-2-pyridinyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9364893
(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 9373685
(3S)-N-(4-bromo-2-fluorophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365085
(3S)-N-(2-chloro-4-nitrophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9364849
(3S)-N-(2-bromophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365320
(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 9364904

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-chloro-2-methoxyphenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(5-chloro-2-methoxyphenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 9365005) is (3S)-N-(5-chloro-2-methoxyphenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(5-chloro-2-methoxyphenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(5-chloro-2-methoxyphenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide is COC[C@H](C)N1C[C@@H](C(=O)Nc2cc(Cl)ccc2OC)CC1=O.
What is the InChIKey of (3S)-N-(5-chloro-2-methoxyphenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CPKMFMYKMLFXEZ-QWRGUYRKSA-N. The full InChI is InChI=1S/C16H21ClN2O4/c1-10(9-22-2)19-8-11(6-15(19)20)16(21)18-13-7-12(17)4-5-14(13)23-3/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,18,21)/t10-,11-/m0/s1.
What are the key properties of (3S)-N-(5-chloro-2-methoxyphenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(5-chloro-2-methoxyphenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-chloro-2-methoxyphenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9365005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).