tert-butyl 4-[2-[(2-fluorobenzoyl)amino]phenoxy]benzoate

C24H22FNO4 — CID 174548801

IUPACtert-butyl 4-[2-[(2-fluorobenzoyl)amino]phenoxy]benzoate
SMILESCC(C)(C)OC(=O)c1ccc(Oc2ccccc2NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C24H22FNO4/c1-24(2,3)30-23(28)16-12-14-17(15-13-16)29-21-11-7-6-10-20(21)26-22(27)18-8-4-5-9-19(18)25/h4-15H,1-3H3,(H,26,27)
InChIKeyQTUVORREFAZFHF-UHFFFAOYSA-N
MW407.44 g/mol
LogP5.83
Rot. Bonds5

About tert-butyl 4-[2-[(2-fluorobenzoyl)amino]phenoxy]benzoate

tert-butyl 4-[2-[(2-fluorobenzoyl)amino]phenoxy]benzoate (PubChem CID 174548801) has the molecular formula C24H22FNO4 and a molecular weight of 407.44 g/mol. Its IUPAC name is tert-butyl 4-[2-[(2-fluorobenzoyl)amino]phenoxy]benzoate.

Molecular Properties

Compound Nametert-butyl 4-[2-[(2-fluorobenzoyl)amino]phenoxy]benzoate
PubChem CID174548801
Molecular FormulaC24H22FNO4
Molecular Weight407.44 g/mol
Exact Mass407.15
IUPAC Nametert-butyl 4-[2-[(2-fluorobenzoyl)amino]phenoxy]benzoate
SMILESCC(C)(C)OC(=O)c1ccc(Oc2ccccc2NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C24H22FNO4/c1-24(2,3)30-23(28)16-12-14-17(15-13-16)29-21-11-7-6-10-20(21)26-22(27)18-8-4-5-9-19(18)25/h4-15H,1-3H3,(H,26,27)
InChIKeyQTUVORREFAZFHF-UHFFFAOYSA-N
XLogP5.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.44
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 4-[2-[(2-fluorobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate
CID 10320091
4-[2-[2-[(2-fluorobenzoyl)amino]phenoxy]ethoxy]benzoic acid
CID 68692642
2-fluoro-N-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]benzamide
CID 17421842
2,4-difluoro-N-(2-phenoxyphenyl)benzamide
CID 4797438
4-tert-butyl-N-(2-phenoxyphenyl)benzamide
CID 903986
2,4,5-trimethyl-N-(2-phenoxyphenyl)benzamide
CID 100710300
2-fluoro-N-[2-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17113262
tert-butyl 2-fluoro-5-[[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoyloxy]benzoate
CID 18974691
2,5-dimethoxy-N-[2-(4-methylphenoxy)phenyl]benzamide
CID 24682124
N-[2-(4-ethoxyphenoxy)phenyl]-2-iodobenzamide
CID 26243693
N-(2-fluorophenyl)-4-phenoxybenzamide
CID 7915018
2-fluoro-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 759350

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[(2-fluorobenzoyl)amino]phenoxy]benzoate?
The IUPAC name of tert-butyl 4-[2-[(2-fluorobenzoyl)amino]phenoxy]benzoate (CID 174548801) is tert-butyl 4-[2-[(2-fluorobenzoyl)amino]phenoxy]benzoate.
What is the SMILES notation for tert-butyl 4-[2-[(2-fluorobenzoyl)amino]phenoxy]benzoate?
The canonical SMILES for tert-butyl 4-[2-[(2-fluorobenzoyl)amino]phenoxy]benzoate is CC(C)(C)OC(=O)c1ccc(Oc2ccccc2NC(=O)c2ccccc2F)cc1.
What is the InChIKey of tert-butyl 4-[2-[(2-fluorobenzoyl)amino]phenoxy]benzoate?
The InChIKey is QTUVORREFAZFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO4/c1-24(2,3)30-23(28)16-12-14-17(15-13-16)29-21-11-7-6-10-20(21)26-22(27)18-8-4-5-9-19(18)25/h4-15H,1-3H3,(H,26,27).
What are the key properties of tert-butyl 4-[2-[(2-fluorobenzoyl)amino]phenoxy]benzoate?
tert-butyl 4-[2-[(2-fluorobenzoyl)amino]phenoxy]benzoate has a molecular weight of 407.44 g/mol, XLogP of 5.83, 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-[(2-fluorobenzoyl)amino]phenoxy]benzoate is sourced from PubChem (CID 174548801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).