N'-acetyl-N'-(3-aminophenyl)-N-(2-cyanophenyl)oxamide

C17H14N4O3 — CID 108501598

IUPACN'-acetyl-N'-(3-aminophenyl)-N-(2-cyanophenyl)oxamide
SMILESCC(=O)N(C(=O)C(=O)Nc1ccccc1C#N)c1cccc(N)c1
InChIInChI=1S/C17H14N4O3/c1-11(22)21(14-7-4-6-13(19)9-14)17(24)16(23)20-15-8-3-2-5-12(15)10-18/h2-9H,19H2,1H3,(H,20,23)
InChIKeyMYAPZQPETNABGX-UHFFFAOYSA-N
MW322.32 g/mol
LogP1.66
Rot. Bonds2

About N'-acetyl-N'-(3-aminophenyl)-N-(2-cyanophenyl)oxamide

N'-acetyl-N'-(3-aminophenyl)-N-(2-cyanophenyl)oxamide (PubChem CID 108501598) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is N'-acetyl-N'-(3-aminophenyl)-N-(2-cyanophenyl)oxamide.

Molecular Properties

Compound NameN'-acetyl-N'-(3-aminophenyl)-N-(2-cyanophenyl)oxamide
PubChem CID108501598
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC NameN'-acetyl-N'-(3-aminophenyl)-N-(2-cyanophenyl)oxamide
SMILESCC(=O)N(C(=O)C(=O)Nc1ccccc1C#N)c1cccc(N)c1
InChIInChI=1S/C17H14N4O3/c1-11(22)21(14-7-4-6-13(19)9-14)17(24)16(23)20-15-8-3-2-5-12(15)10-18/h2-9H,19H2,1H3,(H,20,23)
InChIKeyMYAPZQPETNABGX-UHFFFAOYSA-N
XLogP1.66
TPSA116.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-acetyl-N'-(3-aminophenyl)-N-pyridin-2-yloxamide
CID 108525895
N'-acetyl-N'-(3-aminophenyl)-N-naphthalen-2-yloxamide
CID 108526505
N'-acetyl-N'-(3-aminophenyl)-N-(2-morpholin-4-ylphenyl)oxamide
CID 108526488
N'-acetyl-N'-(3-aminophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108526521
N'-acetyl-N'-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)oxamide
CID 108525696
N'-acetyl-N'-(3-aminophenyl)-N-methyl-N-phenyloxamide
CID 108520930
N-(3-aminophenyl)-N-[(2-iodophenyl)carbamoyl]acetamide
CID 108868989
2-(N-acetyl-3-fluoroanilino)-N-(2-cyanophenyl)acetamide
CID 113177751
(2-cyanophenyl)urea
CID 13155570
N-(2-cyanophenyl)-N',N'-bis(2-hydroxyethyl)oxamide
CID 108501514
2-(N-acetyl-4-fluoroanilino)-N-(2-cyanophenyl)acetamide
CID 113171090
3-(2-cyanophenyl)-1,1-diphenylurea
CID 3830875

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-N'-(3-aminophenyl)-N-(2-cyanophenyl)oxamide?
The IUPAC name of N'-acetyl-N'-(3-aminophenyl)-N-(2-cyanophenyl)oxamide (CID 108501598) is N'-acetyl-N'-(3-aminophenyl)-N-(2-cyanophenyl)oxamide.
What is the SMILES notation for N'-acetyl-N'-(3-aminophenyl)-N-(2-cyanophenyl)oxamide?
The canonical SMILES for N'-acetyl-N'-(3-aminophenyl)-N-(2-cyanophenyl)oxamide is CC(=O)N(C(=O)C(=O)Nc1ccccc1C#N)c1cccc(N)c1.
What is the InChIKey of N'-acetyl-N'-(3-aminophenyl)-N-(2-cyanophenyl)oxamide?
The InChIKey is MYAPZQPETNABGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c1-11(22)21(14-7-4-6-13(19)9-14)17(24)16(23)20-15-8-3-2-5-12(15)10-18/h2-9H,19H2,1H3,(H,20,23).
What are the key properties of N'-acetyl-N'-(3-aminophenyl)-N-(2-cyanophenyl)oxamide?
N'-acetyl-N'-(3-aminophenyl)-N-(2-cyanophenyl)oxamide has a molecular weight of 322.32 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-N'-(3-aminophenyl)-N-(2-cyanophenyl)oxamide is sourced from PubChem (CID 108501598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).