N-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide

C19H21F2N3O4 — CID 55331925

IUPACN-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
SMILESCc1cc(C(=O)NNC(=O)C(NC(=O)c2c(F)cccc2F)C(C)C)c(C)o1
InChIInChI=1S/C19H21F2N3O4/c1-9(2)16(22-18(26)15-13(20)6-5-7-14(15)21)19(27)24-23-17(25)12-8-10(3)28-11(12)4/h5-9,16H,1-4H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyZQRRWCZMCZZXIN-UHFFFAOYSA-N
MW393.39 g/mol
LogP2.39
Rot. Bonds5

About N-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide

N-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide (PubChem CID 55331925) has the molecular formula C19H21F2N3O4 and a molecular weight of 393.39 g/mol. Its IUPAC name is N-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
PubChem CID55331925
Molecular FormulaC19H21F2N3O4
Molecular Weight393.39 g/mol
Exact Mass393.15
IUPAC NameN-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
SMILESCc1cc(C(=O)NNC(=O)C(NC(=O)c2c(F)cccc2F)C(C)C)c(C)o1
InChIInChI=1S/C19H21F2N3O4/c1-9(2)16(22-18(26)15-13(20)6-5-7-14(15)21)19(27)24-23-17(25)12-8-10(3)28-11(12)4/h5-9,16H,1-4H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyZQRRWCZMCZZXIN-UHFFFAOYSA-N
XLogP2.39
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-difluoro-N-[(2S)-3-methyl-1-oxo-1-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]butan-2-yl]benzamide
CID 29266182
N-[1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 42910277
2,6-difluoro-N-[1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55342334
N-[(2S)-1-(2,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 9138404
N-[1-(2,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 51148391
N-[(2S)-1-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55937323
2,6-difluoro-N-[3-methyl-1-(3-methylanilino)-1-oxobutan-2-yl]benzamide
CID 43006925
1-[1-(3,4-difluorophenyl)ethyl]-3-[(2,5-dimethylfuran-3-carbonyl)amino]urea
CID 134008884
N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55335505
N-[1-[4-(dimethylamino)-2-methylanilino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55780216
N'-[2-(4-chlorophenoxy)propanoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 51145728
N-[1-[2-[(2,3-dimethylphenyl)carbamothioyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55350899

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide (CID 55331925) is N-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide is Cc1cc(C(=O)NNC(=O)C(NC(=O)c2c(F)cccc2F)C(C)C)c(C)o1.
What is the InChIKey of N-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide?
The InChIKey is ZQRRWCZMCZZXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O4/c1-9(2)16(22-18(26)15-13(20)6-5-7-14(15)21)19(27)24-23-17(25)12-8-10(3)28-11(12)4/h5-9,16H,1-4H3,(H,22,26)(H,23,25)(H,24,27).
What are the key properties of N-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide?
N-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide has a molecular weight of 393.39 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 55331925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).