tert-butyl N-[2-fluoro-4-(7-methyl-4-oxo-2-propan-2-ylchromen-3-yl)phenyl]carbamate

C24H26FNO4 — CID 143151693

IUPACtert-butyl N-[2-fluoro-4-(7-methyl-4-oxo-2-propan-2-ylchromen-3-yl)phenyl]carbamate
SMILESCc1ccc2c(=O)c(-c3ccc(NC(=O)OC(C)(C)C)c(F)c3)c(C(C)C)oc2c1
InChIInChI=1S/C24H26FNO4/c1-13(2)22-20(21(27)16-9-7-14(3)11-19(16)29-22)15-8-10-18(17(25)12-15)26-23(28)30-24(4,5)6/h7-13H,1-6H3,(H,26,28)
InChIKeyKPMIMTZZBRLSFJ-UHFFFAOYSA-N
MW411.47 g/mol
LogP6.38
Rot. Bonds3

About tert-butyl N-[2-fluoro-4-(7-methyl-4-oxo-2-propan-2-ylchromen-3-yl)phenyl]carbamate

tert-butyl N-[2-fluoro-4-(7-methyl-4-oxo-2-propan-2-ylchromen-3-yl)phenyl]carbamate (PubChem CID 143151693) has the molecular formula C24H26FNO4 and a molecular weight of 411.47 g/mol. Its IUPAC name is tert-butyl N-[2-fluoro-4-(7-methyl-4-oxo-2-propan-2-ylchromen-3-yl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-fluoro-4-(7-methyl-4-oxo-2-propan-2-ylchromen-3-yl)phenyl]carbamate
PubChem CID143151693
Molecular FormulaC24H26FNO4
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Nametert-butyl N-[2-fluoro-4-(7-methyl-4-oxo-2-propan-2-ylchromen-3-yl)phenyl]carbamate
SMILESCc1ccc2c(=O)c(-c3ccc(NC(=O)OC(C)(C)C)c(F)c3)c(C(C)C)oc2c1
InChIInChI=1S/C24H26FNO4/c1-13(2)22-20(21(27)16-9-7-14(3)11-19(16)29-22)15-8-10-18(17(25)12-15)26-23(28)30-24(4,5)6/h7-13H,1-6H3,(H,26,28)
InChIKeyKPMIMTZZBRLSFJ-UHFFFAOYSA-N
XLogP6.38
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.47
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-fluoro-4-(7-methyl-4-oxo-2-propan-2-ylchromen-3-yl)phenyl]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

[3-(4-fluorophenyl)-2-methyl-4-oxochromen-7-yl] (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 92851476
tert-butyl N-(4-bromo-2-fluorophenyl)carbamate
CID 22736228
tert-butyl N-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluorophenyl]carbamate
CID 19434972
tert-butyl N-(6-fluoro-1-benzofuran-3-yl)carbamate
CID 130116518
tert-butyl N-[4-(4-fluorophenyl)-2-(methylamino)phenyl]carbamate
CID 147462087
tert-butyl N-(2-acetyl-4-methylphenyl)carbamate
CID 143444258
tert-butyl N-(2,5-difluorophenyl)carbamate
CID 14690685
tert-butyl N-[(2S)-1-(2-fluoro-4-methylanilino)-4-hydroxy-1-oxobutan-2-yl]carbamate
CID 142974608
tert-butyl N-[2-fluoro-4-[5'-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-yl]phenyl]carbamate
CID 150705416
tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
N-(2-fluoro-4-methylphenyl)-2,2-dimethylpropanamide
CID 24898894
tert-butyl N-[2-fluoro-4-[4-(hydroxymethyl)cyclohexen-1-yl]phenyl]carbamate
CID 176886479

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-fluoro-4-(7-methyl-4-oxo-2-propan-2-ylchromen-3-yl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-fluoro-4-(7-methyl-4-oxo-2-propan-2-ylchromen-3-yl)phenyl]carbamate (CID 143151693) is tert-butyl N-[2-fluoro-4-(7-methyl-4-oxo-2-propan-2-ylchromen-3-yl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-fluoro-4-(7-methyl-4-oxo-2-propan-2-ylchromen-3-yl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-fluoro-4-(7-methyl-4-oxo-2-propan-2-ylchromen-3-yl)phenyl]carbamate is Cc1ccc2c(=O)c(-c3ccc(NC(=O)OC(C)(C)C)c(F)c3)c(C(C)C)oc2c1.
What is the InChIKey of tert-butyl N-[2-fluoro-4-(7-methyl-4-oxo-2-propan-2-ylchromen-3-yl)phenyl]carbamate?
The InChIKey is KPMIMTZZBRLSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO4/c1-13(2)22-20(21(27)16-9-7-14(3)11-19(16)29-22)15-8-10-18(17(25)12-15)26-23(28)30-24(4,5)6/h7-13H,1-6H3,(H,26,28).
What are the key properties of tert-butyl N-[2-fluoro-4-(7-methyl-4-oxo-2-propan-2-ylchromen-3-yl)phenyl]carbamate?
tert-butyl N-[2-fluoro-4-(7-methyl-4-oxo-2-propan-2-ylchromen-3-yl)phenyl]carbamate has a molecular weight of 411.47 g/mol, XLogP of 6.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-fluoro-4-(7-methyl-4-oxo-2-propan-2-ylchromen-3-yl)phenyl]carbamate is sourced from PubChem (CID 143151693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).