(2-chloro-4-fluorophenyl)methyl 2-(2-aminophenyl)acetate

C15H13ClFNO2 — CID 61321843

IUPAC(2-chloro-4-fluorophenyl)methyl 2-(2-aminophenyl)acetate
SMILESNc1ccccc1CC(=O)OCc1ccc(F)cc1Cl
InChIInChI=1S/C15H13ClFNO2/c16-13-8-12(17)6-5-11(13)9-20-15(19)7-10-3-1-2-4-14(10)18/h1-6,8H,7,9,18H2
InChIKeyLIGGNYJUAHSLAX-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.35
Rot. Bonds4

About (2-chloro-4-fluorophenyl)methyl 2-(2-aminophenyl)acetate

(2-chloro-4-fluorophenyl)methyl 2-(2-aminophenyl)acetate (PubChem CID 61321843) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)methyl 2-(2-aminophenyl)acetate.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)methyl 2-(2-aminophenyl)acetate
PubChem CID61321843
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Name(2-chloro-4-fluorophenyl)methyl 2-(2-aminophenyl)acetate
SMILESNc1ccccc1CC(=O)OCc1ccc(F)cc1Cl
InChIInChI=1S/C15H13ClFNO2/c16-13-8-12(17)6-5-11(13)9-20-15(19)7-10-3-1-2-4-14(10)18/h1-6,8H,7,9,18H2
InChIKeyLIGGNYJUAHSLAX-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

2-[2-[(2-chloro-4-fluorophenyl)methoxy]ethyl]aniline
CID 102902199
(2-chloro-4-fluorophenyl)methyl 2-amino-6-methoxybenzoate
CID 81395079
(2-chloro-4-fluorophenyl)methyl 3,5-diaminobenzoate
CID 61323117
(2-chloro-4-fluorophenyl)methyl pyridine-2-carboxylate
CID 2214206
1-(2-chloro-4-fluorophenyl)-3-(2-chlorophenyl)propan-2-one
CID 55096413
(2-chloro-4-fluorophenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 62814289
2,2,2-trifluoroethyl 2-(2-aminophenyl)acetate
CID 28689944
(2-chloro-4-fluorophenyl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 42967396
(2-chloro-4-fluorophenyl)methyl (2S,3S)-2-hydroxy-2-methyl-3-phenylbutanoate
CID 97319452
(2-chloro-4-fluorophenyl)methyl 3-amino-5-fluoro-4-methylbenzoate
CID 61315278
(2-chloro-4-fluorophenyl)methyl 5-amino-2-bromo-4-fluorobenzoate
CID 62816495
[2,3,4-tris[[2-(2-chlorophenyl)acetyl]oxymethyl]phenyl]methyl 2-(2-chlorophenyl)acetate
CID 141296631

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)methyl 2-(2-aminophenyl)acetate?
The IUPAC name of (2-chloro-4-fluorophenyl)methyl 2-(2-aminophenyl)acetate (CID 61321843) is (2-chloro-4-fluorophenyl)methyl 2-(2-aminophenyl)acetate.
What is the SMILES notation for (2-chloro-4-fluorophenyl)methyl 2-(2-aminophenyl)acetate?
The canonical SMILES for (2-chloro-4-fluorophenyl)methyl 2-(2-aminophenyl)acetate is Nc1ccccc1CC(=O)OCc1ccc(F)cc1Cl.
What is the InChIKey of (2-chloro-4-fluorophenyl)methyl 2-(2-aminophenyl)acetate?
The InChIKey is LIGGNYJUAHSLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c16-13-8-12(17)6-5-11(13)9-20-15(19)7-10-3-1-2-4-14(10)18/h1-6,8H,7,9,18H2.
What are the key properties of (2-chloro-4-fluorophenyl)methyl 2-(2-aminophenyl)acetate?
(2-chloro-4-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 (2-chloro-4-fluorophenyl)methyl 2-(2-aminophenyl)acetate is sourced from PubChem (CID 61321843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).