benzyl 2-fluoro-3-[(4-fluorobenzoyl)amino]benzoate

C21H15F2NO3 — CID 172557349

IUPACbenzyl 2-fluoro-3-[(4-fluorobenzoyl)amino]benzoate
SMILESO=C(Nc1cccc(C(=O)OCc2ccccc2)c1F)c1ccc(F)cc1
InChIInChI=1S/C21H15F2NO3/c22-16-11-9-15(10-12-16)20(25)24-18-8-4-7-17(19(18)23)21(26)27-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,24,25)
InChIKeyHAMKVJOHZSQHQY-UHFFFAOYSA-N
MW367.35 g/mol
LogP4.57
Rot. Bonds5

About benzyl 2-fluoro-3-[(4-fluorobenzoyl)amino]benzoate

benzyl 2-fluoro-3-[(4-fluorobenzoyl)amino]benzoate (PubChem CID 172557349) has the molecular formula C21H15F2NO3 and a molecular weight of 367.35 g/mol. Its IUPAC name is benzyl 2-fluoro-3-[(4-fluorobenzoyl)amino]benzoate.

Molecular Properties

Compound Namebenzyl 2-fluoro-3-[(4-fluorobenzoyl)amino]benzoate
PubChem CID172557349
Molecular FormulaC21H15F2NO3
Molecular Weight367.35 g/mol
Exact Mass367.10
IUPAC Namebenzyl 2-fluoro-3-[(4-fluorobenzoyl)amino]benzoate
SMILESO=C(Nc1cccc(C(=O)OCc2ccccc2)c1F)c1ccc(F)cc1
InChIInChI=1S/C21H15F2NO3/c22-16-11-9-15(10-12-16)20(25)24-18-8-4-7-17(19(18)23)21(26)27-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,24,25)
InChIKeyHAMKVJOHZSQHQY-UHFFFAOYSA-N
XLogP4.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2,3-difluorobenzoate
CID 62867579
(4-carbamoylphenyl)methyl 2-benzamidobenzoate
CID 17410103
N-benzyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 895615
(4-iodophenyl)methyl 2-benzamidobenzoate
CID 4601230
benzyl 2-fluoro-3-hydroxybenzoate
CID 561298
benzyl 2-[(3-methylbenzoyl)amino]benzoate
CID 956272
benzyl 3-[cyclopropanecarbonyl-(4-fluorobenzoyl)amino]-2-fluorobenzoate
CID 172557346
N-(2-ethylphenyl)-2-[(4-fluorobenzoyl)amino]benzamide
CID 58758751
benzyl N-(2-fluoro-3-hydroxyphenyl)carbamate
CID 125116618
2-[(4-fluorobenzoyl)amino]-N,N-dimethylbenzamide
CID 4942407
benzyl 2-[(2-cyanoacetyl)amino]benzoate
CID 168523295
N,N-diethyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 6458358

Frequently Asked Questions

What is the IUPAC name of benzyl 2-fluoro-3-[(4-fluorobenzoyl)amino]benzoate?
The IUPAC name of benzyl 2-fluoro-3-[(4-fluorobenzoyl)amino]benzoate (CID 172557349) is benzyl 2-fluoro-3-[(4-fluorobenzoyl)amino]benzoate.
What is the SMILES notation for benzyl 2-fluoro-3-[(4-fluorobenzoyl)amino]benzoate?
The canonical SMILES for benzyl 2-fluoro-3-[(4-fluorobenzoyl)amino]benzoate is O=C(Nc1cccc(C(=O)OCc2ccccc2)c1F)c1ccc(F)cc1.
What is the InChIKey of benzyl 2-fluoro-3-[(4-fluorobenzoyl)amino]benzoate?
The InChIKey is HAMKVJOHZSQHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2NO3/c22-16-11-9-15(10-12-16)20(25)24-18-8-4-7-17(19(18)23)21(26)27-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,24,25).
What are the key properties of benzyl 2-fluoro-3-[(4-fluorobenzoyl)amino]benzoate?
benzyl 2-fluoro-3-[(4-fluorobenzoyl)amino]benzoate has a molecular weight of 367.35 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-fluoro-3-[(4-fluorobenzoyl)amino]benzoate is sourced from PubChem (CID 172557349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).