tert-butyl 4-(2-fluorophenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate

C29H25FN2O3 — CID 58508706

IUPACtert-butyl 4-(2-fluorophenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate
SMILESCC(C)(C)OC(=O)c1ccc(-c2ccccc2F)cc1NC(=O)c1cncc(-c2ccccc2)c1
InChIInChI=1S/C29H25FN2O3/c1-29(2,3)35-28(34)24-14-13-20(23-11-7-8-12-25(23)30)16-26(24)32-27(33)22-15-21(17-31-18-22)19-9-5-4-6-10-19/h4-18H,1-3H3,(H,32,33)
InChIKeyUGAKAGFGSHQISX-UHFFFAOYSA-N
MW468.53 g/mol
LogP6.76
Rot. Bonds5

About tert-butyl 4-(2-fluorophenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate

tert-butyl 4-(2-fluorophenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate (PubChem CID 58508706) has the molecular formula C29H25FN2O3 and a molecular weight of 468.53 g/mol. Its IUPAC name is tert-butyl 4-(2-fluorophenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Nametert-butyl 4-(2-fluorophenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate
PubChem CID58508706
Molecular FormulaC29H25FN2O3
Molecular Weight468.53 g/mol
Exact Mass468.18
IUPAC Nametert-butyl 4-(2-fluorophenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate
SMILESCC(C)(C)OC(=O)c1ccc(-c2ccccc2F)cc1NC(=O)c1cncc(-c2ccccc2)c1
InChIInChI=1S/C29H25FN2O3/c1-29(2,3)35-28(34)24-14-13-20(23-11-7-8-12-25(23)30)16-26(24)32-27(33)22-15-21(17-31-18-22)19-9-5-4-6-10-19/h4-18H,1-3H3,(H,32,33)
InChIKeyUGAKAGFGSHQISX-UHFFFAOYSA-N
XLogP6.76
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.53
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-(2-fluorophenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate with MolForge

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Related Compounds

tert-butyl 4-bromo-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate;tert-butyl 4-(2-nitrophenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate
CID 160708996
tert-butyl 4-(2,4-difluorophenyl)-2-[(5-pyrrol-1-ylpyridine-3-carbonyl)amino]benzoate
CID 140539357
tert-butyl 2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]-4-phenylbenzoate
CID 58508644
tert-butyl 5-(2-fluorophenyl)-2-hydroxybenzoate
CID 174729954
tert-butyl 2-[(5-bromopyridine-2-carbonyl)amino]-4-phenylbenzoate
CID 58508787
sodium;hydride;4-phenyl-2-[(5-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid
CID 173036826
sodium;4-[2-[ethyl(methyl)amino]phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid;hydride
CID 173036822
4-[3-(dimethylamino)phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid
CID 66990541
tert-butyl 2-[(5-cyclohexyl-2-hydroxybenzoyl)amino]-4-phenylbenzoate
CID 58508599
tert-butyl 4-phenoxy-2-[(5-pyrrol-1-ylpyridine-3-carbonyl)amino]benzoate
CID 67343078
tert-butyl 2-[(4-fluorobenzoyl)amino]-4-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]benzoate
CID 67342396
tert-butyl 2-[[4-(dimethylamino)-2-methylbenzoyl]amino]-4-phenylbenzoate
CID 58508662

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-fluorophenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate?
The IUPAC name of tert-butyl 4-(2-fluorophenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate (CID 58508706) is tert-butyl 4-(2-fluorophenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate.
What is the SMILES notation for tert-butyl 4-(2-fluorophenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate?
The canonical SMILES for tert-butyl 4-(2-fluorophenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate is CC(C)(C)OC(=O)c1ccc(-c2ccccc2F)cc1NC(=O)c1cncc(-c2ccccc2)c1.
What is the InChIKey of tert-butyl 4-(2-fluorophenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate?
The InChIKey is UGAKAGFGSHQISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN2O3/c1-29(2,3)35-28(34)24-14-13-20(23-11-7-8-12-25(23)30)16-26(24)32-27(33)22-15-21(17-31-18-22)19-9-5-4-6-10-19/h4-18H,1-3H3,(H,32,33).
What are the key properties of tert-butyl 4-(2-fluorophenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate?
tert-butyl 4-(2-fluorophenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate has a molecular weight of 468.53 g/mol, XLogP of 6.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-fluorophenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 58508706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).