N-[(2-chlorophenyl)methyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide

C20H20ClN3O3 — CID 18584450

IUPACN-[(2-chlorophenyl)methyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCc2ccccc2Cl)cc1N1CCCC1=O
InChIInChI=1S/C20H20ClN3O3/c1-13-8-9-15(11-17(13)24-10-4-7-18(24)25)23-20(27)19(26)22-12-14-5-2-3-6-16(14)21/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,22,26)(H,23,27)
InChIKeyKTMRTIGONNACON-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.03
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide

N-[(2-chlorophenyl)methyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide (PubChem CID 18584450) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
PubChem CID18584450
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC NameN-[(2-chlorophenyl)methyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCc2ccccc2Cl)cc1N1CCCC1=O
InChIInChI=1S/C20H20ClN3O3/c1-13-8-9-15(11-17(13)24-10-4-7-18(24)25)23-20(27)19(26)22-12-14-5-2-3-6-16(14)21/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,22,26)(H,23,27)
InChIKeyKTMRTIGONNACON-UHFFFAOYSA-N
XLogP3.03
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679209
N-(3,4-dimethylphenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680052
N-[(4-methoxyphenyl)methyl]-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680010
1-[(2,4-dichlorophenyl)methyl]-3-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100590009
N-[(2-chlorophenyl)methyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 7688053
N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679517
N'-(3-fluoro-4-methylphenyl)-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680066
2-(3-chlorophenyl)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 100758441
N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680044
N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-propyloxamide
CID 30679260
N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(pyridin-2-ylmethyl)oxamide
CID 18584398
1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-phenylethyl)thiourea
CID 100583903

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide (CID 18584450) is N-[(2-chlorophenyl)methyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide is Cc1ccc(NC(=O)C(=O)NCc2ccccc2Cl)cc1N1CCCC1=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The InChIKey is KTMRTIGONNACON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-13-8-9-15(11-17(13)24-10-4-7-18(24)25)23-20(27)19(26)22-12-14-5-2-3-6-16(14)21/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-[(2-chlorophenyl)methyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
N-[(2-chlorophenyl)methyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide has a molecular weight of 385.85 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide is sourced from PubChem (CID 18584450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).