N'-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]oxamide

C21H29ClN4O3 — CID 47043061

IUPACN'-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]oxamide
SMILESCN(C)C1(CNC(=O)C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)CCCCC1
InChIInChI=1S/C21H29ClN4O3/c1-25(2)21(10-4-3-5-11-21)14-23-19(28)20(29)24-17-13-15(8-9-16(17)22)26-12-6-7-18(26)27/h8-9,13H,3-7,10-12,14H2,1-2H3,(H,23,28)(H,24,29)
InChIKeyPMMHXDVVDCOMCS-UHFFFAOYSA-N
MW420.94 g/mol
LogP2.79
Rot. Bonds5

About N'-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]oxamide

N'-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]oxamide (PubChem CID 47043061) has the molecular formula C21H29ClN4O3 and a molecular weight of 420.94 g/mol. Its IUPAC name is N'-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]oxamide.

Molecular Properties

Compound NameN'-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]oxamide
PubChem CID47043061
Molecular FormulaC21H29ClN4O3
Molecular Weight420.94 g/mol
Exact Mass420.19
IUPAC NameN'-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]oxamide
SMILESCN(C)C1(CNC(=O)C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)CCCCC1
InChIInChI=1S/C21H29ClN4O3/c1-25(2)21(10-4-3-5-11-21)14-23-19(28)20(29)24-17-13-15(8-9-16(17)22)26-12-6-7-18(26)27/h8-9,13H,3-7,10-12,14H2,1-2H3,(H,23,28)(H,24,29)
InChIKeyPMMHXDVVDCOMCS-UHFFFAOYSA-N
XLogP2.79
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylpropanamide
CID 47352609
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3-(dimethylamino)azetidine-1-carboxamide
CID 86789969
3-[[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]propanoic acid
CID 122075641
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3,5-dimethoxybenzamide
CID 55676037
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 55675256
N-[2-(dimethylamino)ethyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584414
2-chloro-N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide
CID 55675758
1-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea
CID 99835705
N-[1-[2-chloro-5-(2-oxopyrrolidin-1-yl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55676128
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-morpholin-4-ylbenzamide
CID 48987924
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 55675672
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 55675283

Frequently Asked Questions

What is the IUPAC name of N'-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]oxamide?
The IUPAC name of N'-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]oxamide (CID 47043061) is N'-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]oxamide.
What is the SMILES notation for N'-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]oxamide?
The canonical SMILES for N'-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]oxamide is CN(C)C1(CNC(=O)C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)CCCCC1.
What is the InChIKey of N'-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]oxamide?
The InChIKey is PMMHXDVVDCOMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN4O3/c1-25(2)21(10-4-3-5-11-21)14-23-19(28)20(29)24-17-13-15(8-9-16(17)22)26-12-6-7-18(26)27/h8-9,13H,3-7,10-12,14H2,1-2H3,(H,23,28)(H,24,29).
What are the key properties of N'-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]oxamide?
N'-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]oxamide has a molecular weight of 420.94 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]oxamide is sourced from PubChem (CID 47043061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).