N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-ethoxybenzamide

C19H19ClN2O3 — CID 16822308

IUPACN-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC2CC(=O)N(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C19H19ClN2O3/c1-2-25-17-9-3-13(4-10-17)19(24)21-15-11-18(23)22(12-15)16-7-5-14(20)6-8-16/h3-10,15H,2,11-12H2,1H3,(H,21,24)
InChIKeyYRBQYSRUNLCTEQ-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.27
Rot. Bonds5

About N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-ethoxybenzamide

N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-ethoxybenzamide (PubChem CID 16822308) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-ethoxybenzamide
PubChem CID16822308
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC NameN-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC2CC(=O)N(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C19H19ClN2O3/c1-2-25-17-9-3-13(4-10-17)19(24)21-15-11-18(23)22(12-15)16-7-5-14(20)6-8-16/h3-10,15H,2,11-12H2,1H3,(H,21,24)
InChIKeyYRBQYSRUNLCTEQ-UHFFFAOYSA-N
XLogP3.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971041
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971034
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 16822307
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 7563827
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
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide
CID 16822304
5-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
CID 7549059
1-[(4-chlorophenyl)methyl]-3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564309
4-tert-butyl-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563819
N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide
CID 7548914
1-(4-chlorophenyl)-N'-(4-ethoxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide
CID 55835061

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-ethoxybenzamide?
The IUPAC name of N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-ethoxybenzamide (CID 16822308) is N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-ethoxybenzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-ethoxybenzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NC2CC(=O)N(c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-ethoxybenzamide?
The InChIKey is YRBQYSRUNLCTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-2-25-17-9-3-13(4-10-17)19(24)21-15-11-18(23)22(12-15)16-7-5-14(20)6-8-16/h3-10,15H,2,11-12H2,1H3,(H,21,24).
What are the key properties of N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-ethoxybenzamide?
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-ethoxybenzamide has a molecular weight of 358.83 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-ethoxybenzamide is sourced from PubChem (CID 16822308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).