N'-(4-aminophenyl)-N-(4-fluorophenyl)-N'-phenyloxamide

C20H16FN3O2 — CID 108512592

IUPACN'-(4-aminophenyl)-N-(4-fluorophenyl)-N'-phenyloxamide
SMILESNc1ccc(N(C(=O)C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C20H16FN3O2/c21-14-6-10-16(11-7-14)23-19(25)20(26)24(17-4-2-1-3-5-17)18-12-8-15(22)9-13-18/h1-13H,22H2,(H,23,25)
InChIKeyHCCBMCMHGFVOQH-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.71
Rot. Bonds3

About N'-(4-aminophenyl)-N-(4-fluorophenyl)-N'-phenyloxamide

N'-(4-aminophenyl)-N-(4-fluorophenyl)-N'-phenyloxamide (PubChem CID 108512592) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is N'-(4-aminophenyl)-N-(4-fluorophenyl)-N'-phenyloxamide.

Molecular Properties

Compound NameN'-(4-aminophenyl)-N-(4-fluorophenyl)-N'-phenyloxamide
PubChem CID108512592
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC NameN'-(4-aminophenyl)-N-(4-fluorophenyl)-N'-phenyloxamide
SMILESNc1ccc(N(C(=O)C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C20H16FN3O2/c21-14-6-10-16(11-7-14)23-19(25)20(26)24(17-4-2-1-3-5-17)18-12-8-15(22)9-13-18/h1-13H,22H2,(H,23,25)
InChIKeyHCCBMCMHGFVOQH-UHFFFAOYSA-N
XLogP3.71
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(4-aminophenyl)-N-(4-phenoxyphenyl)-N'-phenyloxamide
CID 108511634
N,N',N'-triphenyloxamide
CID 54357836
ethyl 4-[[2-(N-(4-aminophenyl)anilino)-2-oxoacetyl]amino]benzoate
CID 108500099
N'-(4-aminophenyl)-N'-phenyl-N-pyrimidin-2-yloxamide
CID 108520702
N'-(4-aminophenyl)-N-(3,4-diethoxyphenyl)-N'-phenyloxamide
CID 108519870
N'-(4-aminophenyl)-N-naphthalen-1-yl-N'-phenyloxamide
CID 108525369
3-(4-aminophenyl)-1-methyl-1-phenylurea
CID 43468906
N'-(4-aminophenyl)-N'-phenyl-N-(piperidine-4-carbonyl)oxamide
CID 108525493
N'-(4-aminophenyl)-N-(2-methoxyethyl)-N'-phenyloxamide
CID 108504994
N-(4-fluorophenyl)-2-[2-oxo-2-(N-phenylanilino)ethoxy]acetamide
CID 7326135
N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide
CID 108512632
N-[4-[N-acetyl-4-(N-acetylanilino)anilino]phenyl]-2-methylprop-2-enamide
CID 101072014

Frequently Asked Questions

What is the IUPAC name of N'-(4-aminophenyl)-N-(4-fluorophenyl)-N'-phenyloxamide?
The IUPAC name of N'-(4-aminophenyl)-N-(4-fluorophenyl)-N'-phenyloxamide (CID 108512592) is N'-(4-aminophenyl)-N-(4-fluorophenyl)-N'-phenyloxamide.
What is the SMILES notation for N'-(4-aminophenyl)-N-(4-fluorophenyl)-N'-phenyloxamide?
The canonical SMILES for N'-(4-aminophenyl)-N-(4-fluorophenyl)-N'-phenyloxamide is Nc1ccc(N(C(=O)C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1.
What is the InChIKey of N'-(4-aminophenyl)-N-(4-fluorophenyl)-N'-phenyloxamide?
The InChIKey is HCCBMCMHGFVOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c21-14-6-10-16(11-7-14)23-19(25)20(26)24(17-4-2-1-3-5-17)18-12-8-15(22)9-13-18/h1-13H,22H2,(H,23,25).
What are the key properties of N'-(4-aminophenyl)-N-(4-fluorophenyl)-N'-phenyloxamide?
N'-(4-aminophenyl)-N-(4-fluorophenyl)-N'-phenyloxamide has a molecular weight of 349.37 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-aminophenyl)-N-(4-fluorophenyl)-N'-phenyloxamide is sourced from PubChem (CID 108512592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).