N-(4-fluorophenyl)-3-[2-[2-(3-methylanilino)-2-oxoacetyl]hydrazinyl]but-3-enamide

C19H19FN4O3 — CID 4113403

IUPACN-(4-fluorophenyl)-3-[2-[2-(3-methylanilino)-2-oxoacetyl]hydrazinyl]but-3-enamide
SMILESC=C(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/h3-10,23H,2,11H2,1H3,(H,21,25)(H,22,26)(H,24,27)
InChIKeyBGINYMIRHWRIOM-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.24
Rot. Bonds6

About N-(4-fluorophenyl)-3-[2-[2-(3-methylanilino)-2-oxoacetyl]hydrazinyl]but-3-enamide

N-(4-fluorophenyl)-3-[2-[2-(3-methylanilino)-2-oxoacetyl]hydrazinyl]but-3-enamide (PubChem CID 4113403) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[2-[2-(3-methylanilino)-2-oxoacetyl]hydrazinyl]but-3-enamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[2-[2-(3-methylanilino)-2-oxoacetyl]hydrazinyl]but-3-enamide
PubChem CID4113403
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC NameN-(4-fluorophenyl)-3-[2-[2-(3-methylanilino)-2-oxoacetyl]hydrazinyl]but-3-enamide
SMILESC=C(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/h3-10,23H,2,11H2,1H3,(H,21,25)(H,22,26)(H,24,27)
InChIKeyBGINYMIRHWRIOM-UHFFFAOYSA-N
XLogP2.24
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide
CID 567431
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CID 9435872
1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357
N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide
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(2S)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)propanamide
CID 41037733
N'-(3-bromophenyl)-N-(4-fluorophenyl)oxamide
CID 108512623
N-(3-hydroxyphenyl)-N'-(3-methylphenyl)oxamide
CID 10445826
2-bromo-N-(3-methylphenyl)prop-2-enamide
CID 150882432
N'-(2,6-difluorophenyl)-N-(3-methylphenyl)oxamide
CID 108515662
N'-(3-methylphenyl)-N-prop-2-enyloxamide
CID 2290778
N-(4-ethoxyphenyl)-N'-(3-methylphenyl)oxamide
CID 44996305
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(3-methylphenyl)acetamide
CID 9133292

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[2-[2-(3-methylanilino)-2-oxoacetyl]hydrazinyl]but-3-enamide?
The IUPAC name of N-(4-fluorophenyl)-3-[2-[2-(3-methylanilino)-2-oxoacetyl]hydrazinyl]but-3-enamide (CID 4113403) is N-(4-fluorophenyl)-3-[2-[2-(3-methylanilino)-2-oxoacetyl]hydrazinyl]but-3-enamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-[2-[2-(3-methylanilino)-2-oxoacetyl]hydrazinyl]but-3-enamide?
The canonical SMILES for N-(4-fluorophenyl)-3-[2-[2-(3-methylanilino)-2-oxoacetyl]hydrazinyl]but-3-enamide is C=C(CC(=O)Nc1ccc(F)cc1)NNC(=O)C(=O)Nc1cccc(C)c1.
What is the InChIKey of N-(4-fluorophenyl)-3-[2-[2-(3-methylanilino)-2-oxoacetyl]hydrazinyl]but-3-enamide?
The InChIKey is BGINYMIRHWRIOM-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/h3-10,23H,2,11H2,1H3,(H,21,25)(H,22,26)(H,24,27).
What are the key properties of N-(4-fluorophenyl)-3-[2-[2-(3-methylanilino)-2-oxoacetyl]hydrazinyl]but-3-enamide?
N-(4-fluorophenyl)-3-[2-[2-(3-methylanilino)-2-oxoacetyl]hydrazinyl]but-3-enamide has a molecular weight of 370.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[2-[2-(3-methylanilino)-2-oxoacetyl]hydrazinyl]but-3-enamide is sourced from PubChem (CID 4113403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).