[3-[(4-fluorobenzoyl)amino]phenyl] 4-fluorobenzoate

C20H13F2NO3 — CID 3409068

IUPAC[3-[(4-fluorobenzoyl)amino]phenyl] 4-fluorobenzoate
SMILESO=C(Nc1cccc(OC(=O)c2ccc(F)cc2)c1)c1ccc(F)cc1
InChIInChI=1S/C20H13F2NO3/c21-15-8-4-13(5-9-15)19(24)23-17-2-1-3-18(12-17)26-20(25)14-6-10-16(22)11-7-14/h1-12H,(H,23,24)
InChIKeySUGAOHRPTAMTPL-UHFFFAOYSA-N
MW353.32 g/mol
LogP4.44
Rot. Bonds4

About [3-[(4-fluorobenzoyl)amino]phenyl] 4-fluorobenzoate

[3-[(4-fluorobenzoyl)amino]phenyl] 4-fluorobenzoate (PubChem CID 3409068) has the molecular formula C20H13F2NO3 and a molecular weight of 353.32 g/mol. Its IUPAC name is [3-[(4-fluorobenzoyl)amino]phenyl] 4-fluorobenzoate.

Molecular Properties

Compound Name[3-[(4-fluorobenzoyl)amino]phenyl] 4-fluorobenzoate
PubChem CID3409068
Molecular FormulaC20H13F2NO3
Molecular Weight353.32 g/mol
Exact Mass353.09
IUPAC Name[3-[(4-fluorobenzoyl)amino]phenyl] 4-fluorobenzoate
SMILESO=C(Nc1cccc(OC(=O)c2ccc(F)cc2)c1)c1ccc(F)cc1
InChIInChI=1S/C20H13F2NO3/c21-15-8-4-13(5-9-15)19(24)23-17-2-1-3-18(12-17)26-20(25)14-6-10-16(22)11-7-14/h1-12H,(H,23,24)
InChIKeySUGAOHRPTAMTPL-UHFFFAOYSA-N
XLogP4.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(3-carbamoylphenyl) 4-fluorobenzoate
CID 47175809
methyl 4-[(3-fluorophenyl)carbamoyl]benzoate
CID 9412634
(3-acetamidophenyl) 3-fluorobenzoate
CID 8007869
4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760
[2-(3-benzamidophenyl)-2-oxoethyl] 4-fluorobenzoate
CID 16645357
ethyl [4-[[3-[(4-fluorobenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate
CID 108930745
N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
CID 39889179
1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357
1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057463
2-[3-[(4-chlorobenzoyl)amino]phenoxy]carbonylbenzoic acid
CID 23904668
4-methyl-N-(3-propan-2-yloxyphenyl)benzamide
CID 2989293
(3-nitrophenyl) 4-fluorobenzoate
CID 4812720

Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorobenzoyl)amino]phenyl] 4-fluorobenzoate?
The IUPAC name of [3-[(4-fluorobenzoyl)amino]phenyl] 4-fluorobenzoate (CID 3409068) is [3-[(4-fluorobenzoyl)amino]phenyl] 4-fluorobenzoate.
What is the SMILES notation for [3-[(4-fluorobenzoyl)amino]phenyl] 4-fluorobenzoate?
The canonical SMILES for [3-[(4-fluorobenzoyl)amino]phenyl] 4-fluorobenzoate is O=C(Nc1cccc(OC(=O)c2ccc(F)cc2)c1)c1ccc(F)cc1.
What is the InChIKey of [3-[(4-fluorobenzoyl)amino]phenyl] 4-fluorobenzoate?
The InChIKey is SUGAOHRPTAMTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2NO3/c21-15-8-4-13(5-9-15)19(24)23-17-2-1-3-18(12-17)26-20(25)14-6-10-16(22)11-7-14/h1-12H,(H,23,24).
What are the key properties of [3-[(4-fluorobenzoyl)amino]phenyl] 4-fluorobenzoate?
[3-[(4-fluorobenzoyl)amino]phenyl] 4-fluorobenzoate has a molecular weight of 353.32 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorobenzoyl)amino]phenyl] 4-fluorobenzoate is sourced from PubChem (CID 3409068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).