(3-fluorophenyl)methyl 2-anilinobenzoate

C20H16FNO2 — CID 4574449

IUPAC(3-fluorophenyl)methyl 2-anilinobenzoate
SMILESO=C(OCc1cccc(F)c1)c1ccccc1Nc1ccccc1
InChIInChI=1S/C20H16FNO2/c21-16-8-6-7-15(13-16)14-24-20(23)18-11-4-5-12-19(18)22-17-9-2-1-3-10-17/h1-13,22H,14H2
InChIKeySYLAOJSOLJDRBM-UHFFFAOYSA-N
MW321.35 g/mol
LogP4.93
Rot. Bonds5

About (3-fluorophenyl)methyl 2-anilinobenzoate

(3-fluorophenyl)methyl 2-anilinobenzoate (PubChem CID 4574449) has the molecular formula C20H16FNO2 and a molecular weight of 321.35 g/mol. Its IUPAC name is (3-fluorophenyl)methyl 2-anilinobenzoate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl 2-anilinobenzoate
PubChem CID4574449
Molecular FormulaC20H16FNO2
Molecular Weight321.35 g/mol
Exact Mass321.12
IUPAC Name(3-fluorophenyl)methyl 2-anilinobenzoate
SMILESO=C(OCc1cccc(F)c1)c1ccccc1Nc1ccccc1
InChIInChI=1S/C20H16FNO2/c21-16-8-6-7-15(13-16)14-24-20(23)18-11-4-5-12-19(18)22-17-9-2-1-3-10-17/h1-13,22H,14H2
InChIKeySYLAOJSOLJDRBM-UHFFFAOYSA-N
XLogP4.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-nitrophenoxy)phenyl]methyl 2-anilinobenzoate
CID 126187083
(3-fluorophenyl)methyl 2-amino-4-fluorobenzoate
CID 52562632
(2-chlorophenyl)methyl 2-anilinobenzoate
CID 5148106
[2-(2-fluorophenyl)-2-oxoethyl] 2-anilinobenzoate
CID 2378619
(3-fluorophenyl)methyl 2-bromo-5-fluorobenzoate
CID 55404850
(3-fluorophenyl)methyl 2-[(2-chloro-4-nitrobenzoyl)amino]benzoate
CID 43012370
benzyl 2,3-difluorobenzoate
CID 62867579
[2-(3-fluoroanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
CID 7752549
(3-fluorophenyl)methyl 5-chloro-2-hydroxybenzoate
CID 1252914
(3-fluorophenyl)methyl 5-bromo-2-hydroxybenzoate
CID 2304436
2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide
CID 141216434
(3-fluorophenyl)methyl 5-amino-2-bromo-4-fluorobenzoate
CID 62814405

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl 2-anilinobenzoate?
The IUPAC name of (3-fluorophenyl)methyl 2-anilinobenzoate (CID 4574449) is (3-fluorophenyl)methyl 2-anilinobenzoate.
What is the SMILES notation for (3-fluorophenyl)methyl 2-anilinobenzoate?
The canonical SMILES for (3-fluorophenyl)methyl 2-anilinobenzoate is O=C(OCc1cccc(F)c1)c1ccccc1Nc1ccccc1.
What is the InChIKey of (3-fluorophenyl)methyl 2-anilinobenzoate?
The InChIKey is SYLAOJSOLJDRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO2/c21-16-8-6-7-15(13-16)14-24-20(23)18-11-4-5-12-19(18)22-17-9-2-1-3-10-17/h1-13,22H,14H2.
What are the key properties of (3-fluorophenyl)methyl 2-anilinobenzoate?
(3-fluorophenyl)methyl 2-anilinobenzoate has a molecular weight of 321.35 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl 2-anilinobenzoate is sourced from PubChem (CID 4574449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).