N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide

C16H16ClN3O2 — CID 108516523

IUPACN'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide
SMILESCN(C)c1cccc(NC(=O)C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C16H16ClN3O2/c1-20(2)14-8-4-7-13(10-14)19-16(22)15(21)18-12-6-3-5-11(17)9-12/h3-10H,1-2H3,(H,18,21)(H,19,22)
InChIKeyPUSWZKUCIYWGFW-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.98
Rot. Bonds3

About N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide

N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide (PubChem CID 108516523) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide
PubChem CID108516523
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC NameN'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide
SMILESCN(C)c1cccc(NC(=O)C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C16H16ClN3O2/c1-20(2)14-8-4-7-13(10-14)19-16(22)15(21)18-12-6-3-5-11(17)9-12/h3-10H,1-2H3,(H,18,21)(H,19,22)
InChIKeyPUSWZKUCIYWGFW-UHFFFAOYSA-N
XLogP2.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.98
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-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501
N-(3-chlorophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108516544
4-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 2310755
5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
CID 78912773
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
N-[3-(dimethylamino)phenyl]-N'-(2-fluorophenyl)oxamide
CID 108520830
N'-(2,6-diethylphenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108511487
N'-[3-(dimethylamino)phenyl]-N-pentyloxamide
CID 108521710
1-(3-chlorophenyl)-3-[3-[methyl(methylsulfonyl)amino]phenyl]urea
CID 2224615
N'-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(dimethylamino)phenyl]oxamide
CID 108529062
N'-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)oxamide
CID 44996296

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide?
The IUPAC name of N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide (CID 108516523) is N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide.
What is the SMILES notation for N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide?
The canonical SMILES for N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide is CN(C)c1cccc(NC(=O)C(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide?
The InChIKey is PUSWZKUCIYWGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-20(2)14-8-4-7-13(10-14)19-16(22)15(21)18-12-6-3-5-11(17)9-12/h3-10H,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide?
N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide has a molecular weight of 317.78 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide is sourced from PubChem (CID 108516523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).