5-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide

C20H21ClN2O4 — CID 7549059

IUPAC5-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
SMILESCCOc1ccc(N2C[C@@H](NC(=O)c3cc(Cl)ccc3OC)CC2=O)cc1
InChIInChI=1S/C20H21ClN2O4/c1-3-27-16-7-5-15(6-8-16)23-12-14(11-19(23)24)22-20(25)17-10-13(21)4-9-18(17)26-2/h4-10,14H,3,11-12H2,1-2H3,(H,22,25)/t14-/m0/s1
InChIKeyNISRTWVKJBUZQO-AWEZNQCLSA-N
MW388.85 g/mol
LogP3.28
Rot. Bonds6

About 5-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide

5-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide (PubChem CID 7549059) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is 5-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
PubChem CID7549059
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC Name5-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
SMILESCCOc1ccc(N2C[C@@H](NC(=O)c3cc(Cl)ccc3OC)CC2=O)cc1
InChIInChI=1S/C20H21ClN2O4/c1-3-27-16-7-5-15(6-8-16)23-12-14(11-19(23)24)22-20(25)17-10-13(21)4-9-18(17)26-2/h4-10,14H,3,11-12H2,1-2H3,(H,22,25)/t14-/m0/s1
InChIKeyNISRTWVKJBUZQO-AWEZNQCLSA-N
XLogP3.28
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methoxy-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548591
N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4-dimethoxybenzamide
CID 7548967
5-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
CID 7255711
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-ethoxybenzamide
CID 16822308
1-(2,4-dichlorophenyl)-3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564322
4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971041
2-chloro-N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7548875
2-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7548879
methyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate
CID 43971090
1-(2,4-dimethoxyphenyl)-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546480
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971034
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-difluorobenzamide
CID 16822238

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide (CID 7549059) is 5-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide is CCOc1ccc(N2C[C@@H](NC(=O)c3cc(Cl)ccc3OC)CC2=O)cc1.
What is the InChIKey of 5-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide?
The InChIKey is NISRTWVKJBUZQO-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c1-3-27-16-7-5-15(6-8-16)23-12-14(11-19(23)24)22-20(25)17-10-13(21)4-9-18(17)26-2/h4-10,14H,3,11-12H2,1-2H3,(H,22,25)/t14-/m0/s1.
What are the key properties of 5-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide?
5-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide has a molecular weight of 388.85 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 7549059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).