tert-butyl N-[5-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-fluorophenyl]carbamate

C23H25FN4O4 — CID 55801992

IUPACtert-butyl N-[5-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-fluorophenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)ccc1F
InChIInChI=1S/C23H25FN4O4/c1-23(2,3)32-22(31)26-19-13-16(9-10-17(19)24)25-21(30)18-11-12-20(29)28(27-18)14-15-7-5-4-6-8-15/h4-10,13H,11-12,14H2,1-3H3,(H,25,30)(H,26,31)
InChIKeyKEFOATMQYPKULP-UHFFFAOYSA-N
MW440.48 g/mol
LogP4.29
Rot. Bonds5

About tert-butyl N-[5-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-fluorophenyl]carbamate

tert-butyl N-[5-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-fluorophenyl]carbamate (PubChem CID 55801992) has the molecular formula C23H25FN4O4 and a molecular weight of 440.48 g/mol. Its IUPAC name is tert-butyl N-[5-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-fluorophenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-fluorophenyl]carbamate
PubChem CID55801992
Molecular FormulaC23H25FN4O4
Molecular Weight440.48 g/mol
Exact Mass440.19
IUPAC Nametert-butyl N-[5-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-fluorophenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)ccc1F
InChIInChI=1S/C23H25FN4O4/c1-23(2,3)32-22(31)26-19-13-16(9-10-17(19)24)25-21(30)18-11-12-20(29)28(27-18)14-15-7-5-4-6-8-15/h4-10,13H,11-12,14H2,1-3H3,(H,25,30)(H,26,31)
InChIKeyKEFOATMQYPKULP-UHFFFAOYSA-N
XLogP4.29
TPSA100.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[5-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-fluorophenyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-fluoro-5-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]carbamate
CID 55767886
1-benzyl-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 56532758
1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55741600
tert-butyl N-[2-fluoro-5-[(1-methylpyrazole-4-carbonyl)amino]phenyl]carbamate
CID 51090415
1-benzyl-N-(4-methyl-2-pyridinyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 60555152
tert-butyl N-[5-[(2-benzamido-3-phenylpropanoyl)amino]-2-fluorophenyl]carbamate
CID 55967903
tert-butyl N-[2-fluoro-5-[(2-oxochromene-3-carbonyl)amino]phenyl]carbamate
CID 87046030
tert-butyl N-[5-[(3-acetamidobenzoyl)amino]-2-fluorophenyl]carbamate
CID 55768268
2-[4-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 117426191
tert-butyl N-[2-fluoro-5-(propylamino)phenyl]carbamate
CID 107240581
tert-butyl N-[2-fluoro-5-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamate
CID 78885273
tert-butyl N-[5-[[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]amino]-2-fluorophenyl]carbamate
CID 55767793

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-fluorophenyl]carbamate?
The IUPAC name of tert-butyl N-[5-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-fluorophenyl]carbamate (CID 55801992) is tert-butyl N-[5-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-fluorophenyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-fluorophenyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-fluorophenyl]carbamate is CC(C)(C)OC(=O)Nc1cc(NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)ccc1F.
What is the InChIKey of tert-butyl N-[5-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-fluorophenyl]carbamate?
The InChIKey is KEFOATMQYPKULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O4/c1-23(2,3)32-22(31)26-19-13-16(9-10-17(19)24)25-21(30)18-11-12-20(29)28(27-18)14-15-7-5-4-6-8-15/h4-10,13H,11-12,14H2,1-3H3,(H,25,30)(H,26,31).
What are the key properties of tert-butyl N-[5-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-fluorophenyl]carbamate?
tert-butyl N-[5-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-fluorophenyl]carbamate has a molecular weight of 440.48 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-fluorophenyl]carbamate is sourced from PubChem (CID 55801992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).