(2-fluorophenyl)methyl 5-amino-2,3-dichlorobenzoate

C14H10Cl2FNO2 — CID 103720382

IUPAC(2-fluorophenyl)methyl 5-amino-2,3-dichlorobenzoate
SMILESNc1cc(Cl)c(Cl)c(C(=O)OCc2ccccc2F)c1
InChIInChI=1S/C14H10Cl2FNO2/c15-11-6-9(18)5-10(13(11)16)14(19)20-7-8-3-1-2-4-12(8)17/h1-6H,7,18H2
InChIKeyKSCHBEWMVLNIKT-UHFFFAOYSA-N
MW314.14 g/mol
LogP4.07
Rot. Bonds3

About (2-fluorophenyl)methyl 5-amino-2,3-dichlorobenzoate

(2-fluorophenyl)methyl 5-amino-2,3-dichlorobenzoate (PubChem CID 103720382) has the molecular formula C14H10Cl2FNO2 and a molecular weight of 314.14 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 5-amino-2,3-dichlorobenzoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 5-amino-2,3-dichlorobenzoate
PubChem CID103720382
Molecular FormulaC14H10Cl2FNO2
Molecular Weight314.14 g/mol
Exact Mass313.01
IUPAC Name(2-fluorophenyl)methyl 5-amino-2,3-dichlorobenzoate
SMILESNc1cc(Cl)c(Cl)c(C(=O)OCc2ccccc2F)c1
InChIInChI=1S/C14H10Cl2FNO2/c15-11-6-9(18)5-10(13(11)16)14(19)20-7-8-3-1-2-4-12(8)17/h1-6H,7,18H2
InChIKeyKSCHBEWMVLNIKT-UHFFFAOYSA-N
XLogP4.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.14
LogP ≤ 54.07
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

(3-chloro-2-fluorophenyl)methyl 5-amino-2,3-dichlorobenzoate
CID 107199283
5-amino-2,3-dichloro-N-[(2-fluorophenyl)methyl]benzamide
CID 107183203
(4-chloro-3-fluorophenyl)methyl 5-amino-2,3-dichlorobenzoate
CID 107885837
(2-fluorophenyl)methyl 4-amino-2-hydroxybenzoate
CID 63933212
(2,3-difluorophenyl)methyl 4-amino-2-chlorobenzoate
CID 61238817
(3-methylphenyl)methyl 5-amino-2,3-dichlorobenzoate
CID 107199230
(2-chloro-3-fluorophenyl)methyl 2-amino-4,5-difluorobenzoate
CID 115984109
(2-fluorophenyl)methyl 5-amino-2-bromo-4-fluorobenzoate
CID 62815970
(2-fluorophenyl)methyl 4-acetamido-5-chloro-2-methoxybenzoate
CID 163338539
(2-fluorophenyl)methyl 5,6-dichloropyridine-3-carboxylate
CID 3288046
(5-bromo-2-fluorophenyl)methyl 5-amino-2-chlorobenzoate
CID 61321831
(3-methyl-2-pyridinyl)methyl 5-amino-2,3-dichlorobenzoate
CID 103897833

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 5-amino-2,3-dichlorobenzoate?
The IUPAC name of (2-fluorophenyl)methyl 5-amino-2,3-dichlorobenzoate (CID 103720382) is (2-fluorophenyl)methyl 5-amino-2,3-dichlorobenzoate.
What is the SMILES notation for (2-fluorophenyl)methyl 5-amino-2,3-dichlorobenzoate?
The canonical SMILES for (2-fluorophenyl)methyl 5-amino-2,3-dichlorobenzoate is Nc1cc(Cl)c(Cl)c(C(=O)OCc2ccccc2F)c1.
What is the InChIKey of (2-fluorophenyl)methyl 5-amino-2,3-dichlorobenzoate?
The InChIKey is KSCHBEWMVLNIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FNO2/c15-11-6-9(18)5-10(13(11)16)14(19)20-7-8-3-1-2-4-12(8)17/h1-6H,7,18H2.
What are the key properties of (2-fluorophenyl)methyl 5-amino-2,3-dichlorobenzoate?
(2-fluorophenyl)methyl 5-amino-2,3-dichlorobenzoate has a molecular weight of 314.14 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 5-amino-2,3-dichlorobenzoate is sourced from PubChem (CID 103720382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).