tert-butyl 5-bromo-4-[[2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carbonyl]amino]-2-methoxybenzoate

C24H24BrFN2O5 — CID 66906909

IUPACtert-butyl 5-bromo-4-[[2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carbonyl]amino]-2-methoxybenzoate
SMILESCOc1cc(NC(=O)N2C=CC(=O)CC2c2ccc(F)cc2)c(Br)cc1C(=O)OC(C)(C)C
InChIInChI=1S/C24H24BrFN2O5/c1-24(2,3)33-22(30)17-12-18(25)19(13-21(17)32-4)27-23(31)28-10-9-16(29)11-20(28)14-5-7-15(26)8-6-14/h5-10,12-13,20H,11H2,1-4H3,(H,27,31)
InChIKeyUBSQIVMKDVUZQT-UHFFFAOYSA-N
MW519.37 g/mol
LogP5.61
Rot. Bonds4

About tert-butyl 5-bromo-4-[[2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carbonyl]amino]-2-methoxybenzoate

tert-butyl 5-bromo-4-[[2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carbonyl]amino]-2-methoxybenzoate (PubChem CID 66906909) has the molecular formula C24H24BrFN2O5 and a molecular weight of 519.37 g/mol. Its IUPAC name is tert-butyl 5-bromo-4-[[2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carbonyl]amino]-2-methoxybenzoate.

Molecular Properties

Compound Nametert-butyl 5-bromo-4-[[2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carbonyl]amino]-2-methoxybenzoate
PubChem CID66906909
Molecular FormulaC24H24BrFN2O5
Molecular Weight519.37 g/mol
Exact Mass518.09
IUPAC Nametert-butyl 5-bromo-4-[[2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carbonyl]amino]-2-methoxybenzoate
SMILESCOc1cc(NC(=O)N2C=CC(=O)CC2c2ccc(F)cc2)c(Br)cc1C(=O)OC(C)(C)C
InChIInChI=1S/C24H24BrFN2O5/c1-24(2,3)33-22(30)17-12-18(25)19(13-21(17)32-4)27-23(31)28-10-9-16(29)11-20(28)14-5-7-15(26)8-6-14/h5-10,12-13,20H,11H2,1-4H3,(H,27,31)
InChIKeyUBSQIVMKDVUZQT-UHFFFAOYSA-N
XLogP5.61
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.37
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 5-bromo-4-[[2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carbonyl]amino]-2-methoxybenzoate with MolForge

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Related Compounds

N-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxamide
CID 46831213
(2S)-N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
CID 59377807
N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
CID 59377730
N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
CID 59377750
N-(2-bromo-4-chloro-5-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
CID 90956337
(2S)-N-[2-bromo-5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chlorophenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
CID 59377792
4-bromo-2-chloro-5-[[(2S)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carbonyl]amino]benzoic acid
CID 140552851
tert-butyl 2-[3-[[2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carbonyl]amino]-2-methylphenyl]acetate
CID 66907361
2-[3-[[(2S)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carbonyl]amino]-2-methylphenyl]acetic acid
CID 46832070
(2S)-2-(4-fluorophenyl)-N-(7-methylquinolin-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide
CID 59377771
(2S)-1-[2-(4,5-dimethoxy-2-methylphenyl)acetyl]-2-(3-fluorophenyl)-2,3-dihydropyridin-4-one
CID 46831207
(3S)-N-(2,4-dibromo-5-methoxyphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 41020358

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-bromo-4-[[2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carbonyl]amino]-2-methoxybenzoate?
The IUPAC name of tert-butyl 5-bromo-4-[[2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carbonyl]amino]-2-methoxybenzoate (CID 66906909) is tert-butyl 5-bromo-4-[[2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carbonyl]amino]-2-methoxybenzoate.
What is the SMILES notation for tert-butyl 5-bromo-4-[[2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carbonyl]amino]-2-methoxybenzoate?
The canonical SMILES for tert-butyl 5-bromo-4-[[2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carbonyl]amino]-2-methoxybenzoate is COc1cc(NC(=O)N2C=CC(=O)CC2c2ccc(F)cc2)c(Br)cc1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 5-bromo-4-[[2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carbonyl]amino]-2-methoxybenzoate?
The InChIKey is UBSQIVMKDVUZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrFN2O5/c1-24(2,3)33-22(30)17-12-18(25)19(13-21(17)32-4)27-23(31)28-10-9-16(29)11-20(28)14-5-7-15(26)8-6-14/h5-10,12-13,20H,11H2,1-4H3,(H,27,31).
What are the key properties of tert-butyl 5-bromo-4-[[2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carbonyl]amino]-2-methoxybenzoate?
tert-butyl 5-bromo-4-[[2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carbonyl]amino]-2-methoxybenzoate has a molecular weight of 519.37 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-bromo-4-[[2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carbonyl]amino]-2-methoxybenzoate is sourced from PubChem (CID 66906909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).