(3-chloro-2-fluorophenyl)methyl 2-(2-aminophenyl)acetate

C15H13ClFNO2 — CID 102858195

IUPAC(3-chloro-2-fluorophenyl)methyl 2-(2-aminophenyl)acetate
SMILESNc1ccccc1CC(=O)OCc1cccc(Cl)c1F
InChIInChI=1S/C15H13ClFNO2/c16-12-6-3-5-11(15(12)17)9-20-14(19)8-10-4-1-2-7-13(10)18/h1-7H,8-9,18H2
InChIKeyGMBZPNZZCZIHIY-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.35
Rot. Bonds4

About (3-chloro-2-fluorophenyl)methyl 2-(2-aminophenyl)acetate

(3-chloro-2-fluorophenyl)methyl 2-(2-aminophenyl)acetate (PubChem CID 102858195) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)methyl 2-(2-aminophenyl)acetate.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)methyl 2-(2-aminophenyl)acetate
PubChem CID102858195
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Name(3-chloro-2-fluorophenyl)methyl 2-(2-aminophenyl)acetate
SMILESNc1ccccc1CC(=O)OCc1cccc(Cl)c1F
InChIInChI=1S/C15H13ClFNO2/c16-12-6-3-5-11(15(12)17)9-20-14(19)8-10-4-1-2-7-13(10)18/h1-7H,8-9,18H2
InChIKeyGMBZPNZZCZIHIY-UHFFFAOYSA-N
XLogP3.35
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 5-amino-3-chloro-2-fluorobenzoate
CID 81267579
Methyl 3-amino-5-chloro-4-fluorobenzoate
CID 82874428
Ethyl 2-amino-5-chlorobenzoate
CID 1515287
Anthranilic acid, 5-chloro-, butyl ester
CID 140347
Phenacyl 2-amino-5-chlorobenzoate
CID 11426287
(3-Fluorophenyl)methyl 3-amino-4-chlorobenzoate
CID 16578159
(3-Chlorophenyl)methyl 2-amino-4-fluorobenzoate
CID 30764848
(2,3-Difluorophenyl)methyl 3-amino-4-chlorobenzoate
CID 41707096
Benzyl 5-amino-2-chloro-4-fluorobenzoate
CID 17765322
Prop-2-enyl 5-amino-2-chloro-4-fluorobenzoate
CID 53727102
Benzyl 3-amino-6-chloro-2-fluorobenzoate
CID 58087305
Ethyl 3-amino-6-chloro-2-fluorobenzoate
CID 59418461

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)methyl 2-(2-aminophenyl)acetate?
The IUPAC name of (3-chloro-2-fluorophenyl)methyl 2-(2-aminophenyl)acetate (CID 102858195) is (3-chloro-2-fluorophenyl)methyl 2-(2-aminophenyl)acetate.
What is the SMILES notation for (3-chloro-2-fluorophenyl)methyl 2-(2-aminophenyl)acetate?
The canonical SMILES for (3-chloro-2-fluorophenyl)methyl 2-(2-aminophenyl)acetate is Nc1ccccc1CC(=O)OCc1cccc(Cl)c1F.
What is the InChIKey of (3-chloro-2-fluorophenyl)methyl 2-(2-aminophenyl)acetate?
The InChIKey is GMBZPNZZCZIHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c16-12-6-3-5-11(15(12)17)9-20-14(19)8-10-4-1-2-7-13(10)18/h1-7H,8-9,18H2.
What are the key properties of (3-chloro-2-fluorophenyl)methyl 2-(2-aminophenyl)acetate?
(3-chloro-2-fluorophenyl)methyl 2-(2-aminophenyl)acetate has a molecular weight of 293.73 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)methyl 2-(2-aminophenyl)acetate is sourced from PubChem (CID 102858195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).