N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]oxamide

C18H20ClN3O2 — CID 7585522

IUPACN-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]oxamide
SMILESCN(C)c1ccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClN3O2/c1-22(2)16-9-7-15(8-10-16)21-18(24)17(23)20-12-11-13-3-5-14(19)6-4-13/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyZKMXWPAVQWNKJP-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.70
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]oxamide

N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]oxamide (PubChem CID 7585522) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]oxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]oxamide
PubChem CID7585522
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]oxamide
SMILESCN(C)c1ccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClN3O2/c1-22(2)16-9-7-15(8-10-16)21-18(24)17(23)20-12-11-13-3-5-14(19)6-4-13/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyZKMXWPAVQWNKJP-UHFFFAOYSA-N
XLogP2.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]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-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]propanediamide
CID 108949854
N'-(4-tert-butylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
CID 108985809
N-[2-(4-chlorophenyl)ethyl]-N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 7639197
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-phenyloxamide
CID 16892017
N'-(3-chloro-2-methylphenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 16891528
N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-prop-2-enyloxamide
CID 16891475
N-[2-(4-chlorophenyl)ethyl]-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108985822
N'-(4-chlorophenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
CID 60611333
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
N'-(3-acetylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
CID 108985815
N-[2-(3-chlorophenyl)ethyl]-N'-[4-(diethylamino)phenyl]oxamide
CID 108986567
N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(3-nitrophenyl)oxamide
CID 16891544

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]oxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]oxamide (CID 7585522) is N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]oxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]oxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]oxamide is CN(C)c1ccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]oxamide?
The InChIKey is ZKMXWPAVQWNKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-22(2)16-9-7-15(8-10-16)21-18(24)17(23)20-12-11-13-3-5-14(19)6-4-13/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]oxamide?
N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]oxamide has a molecular weight of 345.83 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]oxamide is sourced from PubChem (CID 7585522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).