N-(3-chloro-4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

C18H17ClN2O3 — CID 5013933

IUPACN-(3-chloro-4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(c3ccccc3)C2)cc1Cl
InChIInChI=1S/C18H17ClN2O3/c1-24-16-8-7-13(10-15(16)19)20-18(23)12-9-17(22)21(11-12)14-5-3-2-4-6-14/h2-8,10,12H,9,11H2,1H3,(H,20,23)
InChIKeyDBSZXEJVCOGWNO-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.34
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-(3-chloro-4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 5013933) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID5013933
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(c3ccccc3)C2)cc1Cl
InChIInChI=1S/C18H17ClN2O3/c1-24-16-8-7-13(10-15(16)19)20-18(23)12-9-17(22)21(11-12)14-5-3-2-4-6-14/h2-8,10,12H,9,11H2,1H3,(H,20,23)
InChIKeyDBSZXEJVCOGWNO-UHFFFAOYSA-N
XLogP3.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 3146266
1-allyl-N-(3-chloro-4-methoxyphenyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 1486111
N-(3-chloro-4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 2540178
N-cyclohexyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3153910
N-[2-(4-Chlorophenoxy)ethyl]-1-(4-fluorophenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 580158
N-(2,3-dichlorophenyl)[5-oxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]carboxamide
CID 4202412
1-(4-chlorophenethyl)-N-(4-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 2815651
(3R,4R)-N3-(3-chloro-4-methoxyphenyl)-N4-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)-1-(methylsulfonyl)pyrrolidine-3,4-dicarboxamide
CID 11295984
1-[3-chloro-4-(trifluoromethoxy)phenyl]-3-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]urea
CID 118395977
N-(5-chloro-2-methoxyphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 2986544
N-(2,4-difluorophenyl)[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carboxamide
CID 647182
5-Oxo-1-(4-propoxy-phenyl)-pyrrolidine-3-carboxylic acid (2-fluoro-phenyl)-amide
CID 649467

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 5013933) is N-(3-chloro-4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is COc1ccc(NC(=O)C2CC(=O)N(c3ccccc3)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is DBSZXEJVCOGWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-24-16-8-7-13(10-15(16)19)20-18(23)12-9-17(22)21(11-12)14-5-3-2-4-6-14/h2-8,10,12H,9,11H2,1H3,(H,20,23).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 5013933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).