N'-[[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide

C19H19FN4O3 — CID 567431

IUPACN'-[[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide
SMILESCC(CC(=O)Nc1ccc(F)cc1)=NNC(=O)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C19H19FN4O3/c1-12-4-3-5-16(10-12)22-18(26)19(27)24-23-13(2)11-17(25)21-15-8-6-14(20)7-9-15/h3-10H,11H2,1-2H3,(H,21,25)(H,22,26)(H,24,27)
InChIKeyBTDVWVGVXVPHDU-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.59
Rot. Bonds5

About N'-[[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide

N'-[[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide (PubChem CID 567431) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is N'-[[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide
PubChem CID567431
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC NameN'-[[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide
SMILESCC(CC(=O)Nc1ccc(F)cc1)=NNC(=O)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C19H19FN4O3/c1-12-4-3-5-16(10-12)22-18(26)19(27)24-23-13(2)11-17(25)21-15-8-6-14(20)7-9-15/h3-10H,11H2,1-2H3,(H,21,25)(H,22,26)(H,24,27)
InChIKeyBTDVWVGVXVPHDU-UHFFFAOYSA-N
XLogP2.59
TPSA99.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.59
H-Bond Donors ≤ 53
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'-[(E)-[4-(3,4-dichloroanilino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide
CID 51064207
N-(2-hydroxyethyl)-N'-[[4-(3-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide
CID 4672582
N-(3-methylphenyl)-N'-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]oxamide
CID 3101293
N-(4-fluorophenyl)-3-[2-[2-(3-methylanilino)-2-oxoacetyl]hydrazinyl]but-3-enamide
CID 4113403
N'-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide
CID 3101332
N-(4-ethylphenyl)-N'-[(Z)-[4-(4-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide
CID 6322510
N-(4-methylphenyl)-N'-[(E)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]oxamide
CID 46502643
3-fluoro-N-[(Z)-[4-(3-fluoroanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 5371304
N'-[1-(4-fluorophenyl)ethylideneamino]-N-(3-methylphenyl)butanediamide
CID 4033970
N-(4-fluorophenyl)-N'-(propan-2-ylideneamino)oxamide
CID 2854967
N-(4-fluorophenyl)-2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435872
N'-[(Z)-[4-(2-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-N-phenyloxamide
CID 6259574

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide?
The IUPAC name of N'-[[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide (CID 567431) is N'-[[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide.
What is the SMILES notation for N'-[[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide?
The canonical SMILES for N'-[[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide is CC(CC(=O)Nc1ccc(F)cc1)=NNC(=O)C(=O)Nc1cccc(C)c1.
What is the InChIKey of N'-[[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide?
The InChIKey is BTDVWVGVXVPHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-12-4-3-5-16(10-12)22-18(26)19(27)24-23-13(2)11-17(25)21-15-8-6-14(20)7-9-15/h3-10H,11H2,1-2H3,(H,21,25)(H,22,26)(H,24,27).
What are the key properties of N'-[[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide?
N'-[[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide has a molecular weight of 370.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide is sourced from PubChem (CID 567431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).