(3S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide

C23H26ClN3O5 — CID 26268983

IUPAC(3S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(OC)c(N2C[C@@H](C(=O)Nc3ccccc3N3CCOCC3)CC2=O)cc1Cl
InChIInChI=1S/C23H26ClN3O5/c1-30-20-13-21(31-2)19(12-16(20)24)27-14-15(11-22(27)28)23(29)25-17-5-3-4-6-18(17)26-7-9-32-10-8-26/h3-6,12-13,15H,7-11,14H2,1-2H3,(H,25,29)/t15-/m0/s1
InChIKeyOMNMDJQXYZMRAJ-HNNXBMFYSA-N
MW459.93 g/mol
LogP3.19
Rot. Bonds6

About (3S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 26268983) has the molecular formula C23H26ClN3O5 and a molecular weight of 459.93 g/mol. Its IUPAC name is (3S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID26268983
Molecular FormulaC23H26ClN3O5
Molecular Weight459.93 g/mol
Exact Mass459.16
IUPAC Name(3S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(OC)c(N2C[C@@H](C(=O)Nc3ccccc3N3CCOCC3)CC2=O)cc1Cl
InChIInChI=1S/C23H26ClN3O5/c1-30-20-13-21(31-2)19(12-16(20)24)27-14-15(11-22(27)28)23(29)25-17-5-3-4-6-18(17)26-7-9-32-10-8-26/h3-6,12-13,15H,7-11,14H2,1-2H3,(H,25,29)/t15-/m0/s1
InChIKeyOMNMDJQXYZMRAJ-HNNXBMFYSA-N
XLogP3.19
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.93
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-morpholin-4-ylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42999905
(3S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-(2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 26360848
(3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 42057854
(3S)-1-(2-chlorophenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 8832147
(3S)-N-(2-morpholin-4-ylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9461562
1-(2,6-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186273
1-(2-methoxy-5-methylphenyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55900330
1-(2-bromophenyl)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586344
N-(4-chloro-2,5-dimethoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 42999548
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4787816
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8005863
(3S)-5-oxo-N-(2-piperidin-1-ylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 39299821

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 26268983) is (3S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cc(OC)c(N2C[C@@H](C(=O)Nc3ccccc3N3CCOCC3)CC2=O)cc1Cl.
What is the InChIKey of (3S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OMNMDJQXYZMRAJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H26ClN3O5/c1-30-20-13-21(31-2)19(12-16(20)24)27-14-15(11-22(27)28)23(29)25-17-5-3-4-6-18(17)26-7-9-32-10-8-26/h3-6,12-13,15H,7-11,14H2,1-2H3,(H,25,29)/t15-/m0/s1.
What are the key properties of (3S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 459.93 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 26268983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).