N'-(3-chloro-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide

C16H20ClN3O4 — CID 44902400

IUPACN'-(3-chloro-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCCCN2CCCC2=O)cc1Cl
InChIInChI=1S/C16H20ClN3O4/c1-24-13-6-5-11(10-12(13)17)19-16(23)15(22)18-7-3-9-20-8-2-4-14(20)21/h5-6,10H,2-4,7-9H2,1H3,(H,18,22)(H,19,23)
InChIKeyOTVYPEMUBKTIDI-UHFFFAOYSA-N
MW353.81 g/mol
LogP1.42
Rot. Bonds6

About N'-(3-chloro-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide

N'-(3-chloro-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide (PubChem CID 44902400) has the molecular formula C16H20ClN3O4 and a molecular weight of 353.81 g/mol. Its IUPAC name is N'-(3-chloro-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
PubChem CID44902400
Molecular FormulaC16H20ClN3O4
Molecular Weight353.81 g/mol
Exact Mass353.11
IUPAC NameN'-(3-chloro-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCCCN2CCCC2=O)cc1Cl
InChIInChI=1S/C16H20ClN3O4/c1-24-13-6-5-11(10-12(13)17)19-16(23)15(22)18-7-3-9-20-8-2-4-14(20)21/h5-6,10H,2-4,7-9H2,1H3,(H,18,22)(H,19,23)
InChIKeyOTVYPEMUBKTIDI-UHFFFAOYSA-N
XLogP1.42
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
CID 2211279
N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-phenyloxamide
CID 7541598
N'-(3-chloro-4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268515
N'-(2-methoxyethyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
CID 45497345
1-(2-methoxy-5-methylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
CID 3249557
N'-(3-chloro-4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide
CID 16886530
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 108891289
1-(4-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 2215682
N'-[(4-chlorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
CID 18588547
4-bromo-3,5-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 36839856
2-(4-chloro-2-methylphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 42992476
1-(3-chloro-4-methoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea
CID 3593529

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide?
The IUPAC name of N'-(3-chloro-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide (CID 44902400) is N'-(3-chloro-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide.
What is the SMILES notation for N'-(3-chloro-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide?
The canonical SMILES for N'-(3-chloro-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide is COc1ccc(NC(=O)C(=O)NCCCN2CCCC2=O)cc1Cl.
What is the InChIKey of N'-(3-chloro-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide?
The InChIKey is OTVYPEMUBKTIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O4/c1-24-13-6-5-11(10-12(13)17)19-16(23)15(22)18-7-3-9-20-8-2-4-14(20)21/h5-6,10H,2-4,7-9H2,1H3,(H,18,22)(H,19,23).
What are the key properties of N'-(3-chloro-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide?
N'-(3-chloro-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide has a molecular weight of 353.81 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide is sourced from PubChem (CID 44902400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).