tert-butyl N-[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-fluorophenyl]carbamate

C18H19BrFN3O4 — CID 56571630

IUPACtert-butyl N-[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-fluorophenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(F)cc1NC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C18H19BrFN3O4/c1-18(2,3)27-17(26)22-13-6-5-12(20)8-14(13)21-15(24)10-23-9-11(19)4-7-16(23)25/h4-9H,10H2,1-3H3,(H,21,24)(H,22,26)
InChIKeyQIOWRLNDCCGFNK-UHFFFAOYSA-N
MW440.27 g/mol
LogP3.74
Rot. Bonds4

About tert-butyl N-[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-fluorophenyl]carbamate

tert-butyl N-[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-fluorophenyl]carbamate (PubChem CID 56571630) has the molecular formula C18H19BrFN3O4 and a molecular weight of 440.27 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-fluorophenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-fluorophenyl]carbamate
PubChem CID56571630
Molecular FormulaC18H19BrFN3O4
Molecular Weight440.27 g/mol
Exact Mass439.05
IUPAC Nametert-butyl N-[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-fluorophenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(F)cc1NC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C18H19BrFN3O4/c1-18(2,3)27-17(26)22-13-6-5-12(20)8-14(13)21-15(24)10-23-9-11(19)4-7-16(23)25/h4-9H,10H2,1-3H3,(H,21,24)(H,22,26)
InChIKeyQIOWRLNDCCGFNK-UHFFFAOYSA-N
XLogP3.74
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.27
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-fluorophenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[4-fluoro-2-(propanoylamino)phenyl]carbamate
CID 56783735
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 47115199
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,4-dimethylphenyl)acetamide
CID 18085754
tert-butyl N-(4-bromo-2-fluorophenyl)carbamate
CID 22736228
tert-butyl N-(2,5-difluorophenyl)carbamate
CID 14690685
tert-butyl N-[1-[[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]methyl]cycloheptyl]carbamate
CID 55638839
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-ethylphenyl)acetamide
CID 26051552
tert-butyl N-[4-fluoro-2-[(1-methylpyrrol-3-yl)methylamino]phenyl]carbamate
CID 107240795
tert-butyl N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]carbamate
CID 47451260
2-(5-amino-2-oxo-1-pyridinyl)-N-(2,4-difluorophenyl)acetamide
CID 62815111
tert-butyl N-[2-[3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoylamino]-4-fluorophenyl]carbamate
CID 56571759
N-(2-amino-5-chlorophenyl)-2-(5-bromo-2-oxo-1-pyridinyl)acetamide
CID 28532600

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-fluorophenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-fluorophenyl]carbamate (CID 56571630) is tert-butyl N-[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-fluorophenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-fluorophenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-fluorophenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(F)cc1NC(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of tert-butyl N-[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-fluorophenyl]carbamate?
The InChIKey is QIOWRLNDCCGFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN3O4/c1-18(2,3)27-17(26)22-13-6-5-12(20)8-14(13)21-15(24)10-23-9-11(19)4-7-16(23)25/h4-9H,10H2,1-3H3,(H,21,24)(H,22,26).
What are the key properties of tert-butyl N-[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-fluorophenyl]carbamate?
tert-butyl N-[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-fluorophenyl]carbamate has a molecular weight of 440.27 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-fluorophenyl]carbamate is sourced from PubChem (CID 56571630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).