N-(4-bromo-2-fluorophenyl)-N'-(1-pyridin-4-ylethylideneamino)oxamide

C15H12BrFN4O2 — CID 3252551

IUPACN-(4-bromo-2-fluorophenyl)-N'-(1-pyridin-4-ylethylideneamino)oxamide
SMILESCC(=NNC(=O)C(=O)Nc1ccc(Br)cc1F)c1ccncc1
InChIInChI=1S/C15H12BrFN4O2/c1-9(10-4-6-18-7-5-10)20-21-15(23)14(22)19-13-3-2-11(16)8-12(13)17/h2-8H,1H3,(H,19,22)(H,21,23)
InChIKeyOXLCYUMRVPNYMQ-UHFFFAOYSA-N
MW379.19 g/mol
LogP2.46
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-N'-(1-pyridin-4-ylethylideneamino)oxamide

N-(4-bromo-2-fluorophenyl)-N'-(1-pyridin-4-ylethylideneamino)oxamide (PubChem CID 3252551) has the molecular formula C15H12BrFN4O2 and a molecular weight of 379.19 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-N'-(1-pyridin-4-ylethylideneamino)oxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-N'-(1-pyridin-4-ylethylideneamino)oxamide
PubChem CID3252551
Molecular FormulaC15H12BrFN4O2
Molecular Weight379.19 g/mol
Exact Mass378.01
IUPAC NameN-(4-bromo-2-fluorophenyl)-N'-(1-pyridin-4-ylethylideneamino)oxamide
SMILESCC(=NNC(=O)C(=O)Nc1ccc(Br)cc1F)c1ccncc1
InChIInChI=1S/C15H12BrFN4O2/c1-9(10-4-6-18-7-5-10)20-21-15(23)14(22)19-13-3-2-11(16)8-12(13)17/h2-8H,1H3,(H,19,22)(H,21,23)
InChIKeyOXLCYUMRVPNYMQ-UHFFFAOYSA-N
XLogP2.46
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.19
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-fluorophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19659738
N-(4-bromo-2-fluorophenyl)-2-oxopropanamide
CID 144805374
N-(4-bromo-2-fluorophenyl)-N'-[(E)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
CID 19660559
N-(4-bromo-2-methylphenyl)-N'-[(E)-1-(4-pyrrol-1-ylphenyl)ethylideneamino]oxamide
CID 19659135
N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
CID 5402716
N-(4-bromo-2-fluorophenyl)pyridazine-4-carboxamide
CID 112702158
1-(4-bromo-2-fluorophenyl)-3-(pyridin-4-ylmethyl)urea
CID 47032119
N-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide
CID 19659894
N'-[1-(4-bromophenyl)ethylideneamino]-N-(2,5-dimethoxyphenyl)oxamide
CID 5048777
N-(5-bromo-2-fluorophenyl)pyridine-4-carboxamide
CID 110779492
(1-pyridin-4-ylethylideneamino)urea
CID 2755736
3,4,5-trihydroxy-N-(1-pyridin-4-ylethylideneamino)benzamide
CID 903912

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-N'-(1-pyridin-4-ylethylideneamino)oxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-N'-(1-pyridin-4-ylethylideneamino)oxamide (CID 3252551) is N-(4-bromo-2-fluorophenyl)-N'-(1-pyridin-4-ylethylideneamino)oxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-N'-(1-pyridin-4-ylethylideneamino)oxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-N'-(1-pyridin-4-ylethylideneamino)oxamide is CC(=NNC(=O)C(=O)Nc1ccc(Br)cc1F)c1ccncc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-N'-(1-pyridin-4-ylethylideneamino)oxamide?
The InChIKey is OXLCYUMRVPNYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN4O2/c1-9(10-4-6-18-7-5-10)20-21-15(23)14(22)19-13-3-2-11(16)8-12(13)17/h2-8H,1H3,(H,19,22)(H,21,23).
What are the key properties of N-(4-bromo-2-fluorophenyl)-N'-(1-pyridin-4-ylethylideneamino)oxamide?
N-(4-bromo-2-fluorophenyl)-N'-(1-pyridin-4-ylethylideneamino)oxamide has a molecular weight of 379.19 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-N'-(1-pyridin-4-ylethylideneamino)oxamide is sourced from PubChem (CID 3252551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).