[4-ethenyl-3-[(2-fluorobenzoyl)amino]phenyl] benzoate

C22H16FNO3 — CID 175374320

IUPAC[4-ethenyl-3-[(2-fluorobenzoyl)amino]phenyl] benzoate
SMILESC=Cc1ccc(OC(=O)c2ccccc2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C22H16FNO3/c1-2-15-12-13-17(27-22(26)16-8-4-3-5-9-16)14-20(15)24-21(25)18-10-6-7-11-19(18)23/h2-14H,1H2,(H,24,25)
InChIKeyWHIDUCMDAHTLKL-UHFFFAOYSA-N
MW361.37 g/mol
LogP4.94
Rot. Bonds5

About [4-ethenyl-3-[(2-fluorobenzoyl)amino]phenyl] benzoate

[4-ethenyl-3-[(2-fluorobenzoyl)amino]phenyl] benzoate (PubChem CID 175374320) has the molecular formula C22H16FNO3 and a molecular weight of 361.37 g/mol. Its IUPAC name is [4-ethenyl-3-[(2-fluorobenzoyl)amino]phenyl] benzoate.

Molecular Properties

Compound Name[4-ethenyl-3-[(2-fluorobenzoyl)amino]phenyl] benzoate
PubChem CID175374320
Molecular FormulaC22H16FNO3
Molecular Weight361.37 g/mol
Exact Mass361.11
IUPAC Name[4-ethenyl-3-[(2-fluorobenzoyl)amino]phenyl] benzoate
SMILESC=Cc1ccc(OC(=O)c2ccccc2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C22H16FNO3/c1-2-15-12-13-17(27-22(26)16-8-4-3-5-9-16)14-20(15)24-21(25)18-10-6-7-11-19(18)23/h2-14H,1H2,(H,24,25)
InChIKeyWHIDUCMDAHTLKL-UHFFFAOYSA-N
XLogP4.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 54.94
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-(benzenesulfonamido)-4-ethenylphenyl] benzoate
CID 174548855
[4-ethenyl-3-(4-methylanilino)phenyl] benzoate
CID 175255407
(3,4-dibenzamidophenyl) benzoate
CID 2749917
[4-[(E)-[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 25252626
(3-ethenylphenyl) benzoate
CID 18762156
[3-(2-benzamidobenzoyl)oxyphenyl] 2-benzamidobenzoate
CID 154371121
[4-(2-fluorobenzoyl)oxyphenyl] 2-fluorobenzoate
CID 579414
2-[(2-fluorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 707198
4-(2-fluorobenzoyl)oxybenzoic acid
CID 54854449
[4-fluoro-3-(fluoromethyl)phenyl] benzoate
CID 165144125
tert-butyl 4-[2-[(2-fluorobenzoyl)amino]phenoxy]benzoate
CID 174548801
[4-[(benzoylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate
CID 4095842

Frequently Asked Questions

What is the IUPAC name of [4-ethenyl-3-[(2-fluorobenzoyl)amino]phenyl] benzoate?
The IUPAC name of [4-ethenyl-3-[(2-fluorobenzoyl)amino]phenyl] benzoate (CID 175374320) is [4-ethenyl-3-[(2-fluorobenzoyl)amino]phenyl] benzoate.
What is the SMILES notation for [4-ethenyl-3-[(2-fluorobenzoyl)amino]phenyl] benzoate?
The canonical SMILES for [4-ethenyl-3-[(2-fluorobenzoyl)amino]phenyl] benzoate is C=Cc1ccc(OC(=O)c2ccccc2)cc1NC(=O)c1ccccc1F.
What is the InChIKey of [4-ethenyl-3-[(2-fluorobenzoyl)amino]phenyl] benzoate?
The InChIKey is WHIDUCMDAHTLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO3/c1-2-15-12-13-17(27-22(26)16-8-4-3-5-9-16)14-20(15)24-21(25)18-10-6-7-11-19(18)23/h2-14H,1H2,(H,24,25).
What are the key properties of [4-ethenyl-3-[(2-fluorobenzoyl)amino]phenyl] benzoate?
[4-ethenyl-3-[(2-fluorobenzoyl)amino]phenyl] benzoate has a molecular weight of 361.37 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethenyl-3-[(2-fluorobenzoyl)amino]phenyl] benzoate is sourced from PubChem (CID 175374320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).