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

C18H20ClN3O2 — CID 16891537

IUPACN'-(2-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide
SMILESCN(C)c1ccc(CCNC(=O)C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClN3O2/c1-22(2)14-9-7-13(8-10-14)11-12-20-17(23)18(24)21-16-6-4-3-5-15(16)19/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyZWQKJNAJODPYON-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.70
Rot. Bonds5

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

N'-(2-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide (PubChem CID 16891537) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide
PubChem CID16891537
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN'-(2-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide
SMILESCN(C)c1ccc(CCNC(=O)C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClN3O2/c1-22(2)14-9-7-13(8-10-14)11-12-20-17(23)18(24)21-16-6-4-3-5-15(16)19/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyZWQKJNAJODPYON-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_E(186)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide?
The IUPAC name of N'-(2-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide (CID 16891537) is N'-(2-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide.
What is the SMILES notation for N'-(2-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide?
The canonical SMILES for N'-(2-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide is CN(C)c1ccc(CCNC(=O)C(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N'-(2-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide?
The InChIKey is ZWQKJNAJODPYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-22(2)14-9-7-13(8-10-14)11-12-20-17(23)18(24)21-16-6-4-3-5-15(16)19/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N'-(2-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide?
N'-(2-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]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-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide is sourced from PubChem (CID 16891537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).