4-fluoro-N-[(2-nitroso-1-phenylethylidene)amino]benzamide

C15H12FN3O2 — CID 91509207

IUPAC4-fluoro-N-[(2-nitroso-1-phenylethylidene)amino]benzamide
SMILESO=NCC(=NNC(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H12FN3O2/c16-13-8-6-12(7-9-13)15(20)19-18-14(10-17-21)11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20)
InChIKeyXWVMUKDZRHRAPK-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.73
Rot. Bonds5

About 4-fluoro-N-[(2-nitroso-1-phenylethylidene)amino]benzamide

4-fluoro-N-[(2-nitroso-1-phenylethylidene)amino]benzamide (PubChem CID 91509207) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 4-fluoro-N-[(2-nitroso-1-phenylethylidene)amino]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(2-nitroso-1-phenylethylidene)amino]benzamide
PubChem CID91509207
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name4-fluoro-N-[(2-nitroso-1-phenylethylidene)amino]benzamide
SMILESO=NCC(=NNC(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H12FN3O2/c16-13-8-6-12(7-9-13)15(20)19-18-14(10-17-21)11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20)
InChIKeyXWVMUKDZRHRAPK-UHFFFAOYSA-N
XLogP2.73
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[(2-nitroso-1-phenylethylidene)amino]benzamide
CID 91089657
N-[[1-(4-fluorophenyl)-2-pyridin-4-ylethylidene]amino]benzamide
CID 91385749
3-methyl-N-[(2-nitroso-1-phenylethylidene)amino]benzamide
CID 91169409
5-bromo-N-[(2-nitroso-1-phenylethylidene)amino]pyridine-3-carboxamide
CID 90867123
4-fluoro-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 847534
N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]benzamide
CID 86037517
3,4-dichloro-N-[[1-(3,4-dichlorophenyl)-2-nitrosoethylidene]amino]benzamide
CID 91446441
4-fluoro-N-(propan-2-ylideneamino)benzamide
CID 847533
1-(4-fluorophenyl)-2-nitrosoethanone
CID 57125570
(4Z)-4-(4-bromophenyl)-4-[(4-fluorobenzoyl)hydrazinylidene]butanoate
CID 7720791
(4E)-4-[(4-bromobenzoyl)hydrazinylidene]-4-phenylbutanoic acid
CID 6391991
2-(4-fluorophenyl)-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 7428677

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2-nitroso-1-phenylethylidene)amino]benzamide?
The IUPAC name of 4-fluoro-N-[(2-nitroso-1-phenylethylidene)amino]benzamide (CID 91509207) is 4-fluoro-N-[(2-nitroso-1-phenylethylidene)amino]benzamide.
What is the SMILES notation for 4-fluoro-N-[(2-nitroso-1-phenylethylidene)amino]benzamide?
The canonical SMILES for 4-fluoro-N-[(2-nitroso-1-phenylethylidene)amino]benzamide is O=NCC(=NNC(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 4-fluoro-N-[(2-nitroso-1-phenylethylidene)amino]benzamide?
The InChIKey is XWVMUKDZRHRAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-13-8-6-12(7-9-13)15(20)19-18-14(10-17-21)11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20).
What are the key properties of 4-fluoro-N-[(2-nitroso-1-phenylethylidene)amino]benzamide?
4-fluoro-N-[(2-nitroso-1-phenylethylidene)amino]benzamide has a molecular weight of 285.28 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2-nitroso-1-phenylethylidene)amino]benzamide is sourced from PubChem (CID 91509207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).