N-(3-chlorophenyl)-N'-ethyl-N'-phenyloxamide

C16H15ClN2O2 — CID 108516466

IUPACN-(3-chlorophenyl)-N'-ethyl-N'-phenyloxamide
SMILESCCN(C(=O)C(=O)Nc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C16H15ClN2O2/c1-2-19(14-9-4-3-5-10-14)16(21)15(20)18-13-8-6-7-12(17)11-13/h3-11H,2H2,1H3,(H,18,20)
InChIKeyYZFRSZKVFALOAX-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.33
Rot. Bonds3

About N-(3-chlorophenyl)-N'-ethyl-N'-phenyloxamide

N-(3-chlorophenyl)-N'-ethyl-N'-phenyloxamide (PubChem CID 108516466) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N'-ethyl-N'-phenyloxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N'-ethyl-N'-phenyloxamide
PubChem CID108516466
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC NameN-(3-chlorophenyl)-N'-ethyl-N'-phenyloxamide
SMILESCCN(C(=O)C(=O)Nc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C16H15ClN2O2/c1-2-19(14-9-4-3-5-10-14)16(21)15(20)18-13-8-6-7-12(17)11-13/h3-11H,2H2,1H3,(H,18,20)
InChIKeyYZFRSZKVFALOAX-UHFFFAOYSA-N
XLogP3.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide
CID 108521844
N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-ethyl-N'-phenyloxamide
CID 108518687
N-(2,3-dichlorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108500732
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-ethyl-N'-phenyloxamide
CID 108986912
N-(2,6-difluorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108518572
1-(3-chloro-2-methylpropyl)-3-(3-chlorophenyl)-1-phenylurea
CID 13284551
N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108516523
3-[2-(3-chlorophenyl)ethyl]-1-ethyl-1-phenylurea
CID 108901403
N-(3-chlorophenyl)-2-(N-ethyl-3-fluoroanilino)acetamide
CID 52686374
N-(3-chlorophenyl)-2-(N-ethyl-3-methylanilino)acetamide
CID 109008467
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
5-(3-chloroanilino)-N-ethyl-N-phenylpyridine-3-carboxamide
CID 109243553

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N'-ethyl-N'-phenyloxamide?
The IUPAC name of N-(3-chlorophenyl)-N'-ethyl-N'-phenyloxamide (CID 108516466) is N-(3-chlorophenyl)-N'-ethyl-N'-phenyloxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N'-ethyl-N'-phenyloxamide?
The canonical SMILES for N-(3-chlorophenyl)-N'-ethyl-N'-phenyloxamide is CCN(C(=O)C(=O)Nc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of N-(3-chlorophenyl)-N'-ethyl-N'-phenyloxamide?
The InChIKey is YZFRSZKVFALOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-2-19(14-9-4-3-5-10-14)16(21)15(20)18-13-8-6-7-12(17)11-13/h3-11H,2H2,1H3,(H,18,20).
What are the key properties of N-(3-chlorophenyl)-N'-ethyl-N'-phenyloxamide?
N-(3-chlorophenyl)-N'-ethyl-N'-phenyloxamide has a molecular weight of 302.76 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N'-ethyl-N'-phenyloxamide is sourced from PubChem (CID 108516466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).