(2,3-difluorophenyl)methyl 4-amino-2-chlorobenzoate

C14H10ClF2NO2 — CID 61238817

IUPAC(2,3-difluorophenyl)methyl 4-amino-2-chlorobenzoate
SMILESNc1ccc(C(=O)OCc2cccc(F)c2F)c(Cl)c1
InChIInChI=1S/C14H10ClF2NO2/c15-11-6-9(18)4-5-10(11)14(19)20-7-8-2-1-3-12(16)13(8)17/h1-6H,7,18H2
InChIKeyUWOCBMPDDUQDHY-UHFFFAOYSA-N
MW297.69 g/mol
LogP3.56
Rot. Bonds3

About (2,3-difluorophenyl)methyl 4-amino-2-chlorobenzoate

(2,3-difluorophenyl)methyl 4-amino-2-chlorobenzoate (PubChem CID 61238817) has the molecular formula C14H10ClF2NO2 and a molecular weight of 297.69 g/mol. Its IUPAC name is (2,3-difluorophenyl)methyl 4-amino-2-chlorobenzoate.

Molecular Properties

Compound Name(2,3-difluorophenyl)methyl 4-amino-2-chlorobenzoate
PubChem CID61238817
Molecular FormulaC14H10ClF2NO2
Molecular Weight297.69 g/mol
Exact Mass297.04
IUPAC Name(2,3-difluorophenyl)methyl 4-amino-2-chlorobenzoate
SMILESNc1ccc(C(=O)OCc2cccc(F)c2F)c(Cl)c1
InChIInChI=1S/C14H10ClF2NO2/c15-11-6-9(18)4-5-10(11)14(19)20-7-8-2-1-3-12(16)13(8)17/h1-6H,7,18H2
InChIKeyUWOCBMPDDUQDHY-UHFFFAOYSA-N
XLogP3.56
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.69
LogP ≤ 53.56
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 2,4-diaminobenzoate
CID 102858189
(3-chloro-2-fluorophenyl)methyl 5-amino-2,3-dichlorobenzoate
CID 107199283
(2-methylphenyl)methyl 4-amino-2-chlorobenzoate
CID 61238994
(2,3-difluorophenyl)methyl 5-amino-2,4-difluorobenzoate
CID 61315619
(4-fluorophenyl)methyl 4-amino-2-chlorobenzoate
CID 61236840
(2-fluorophenyl)methyl 5-amino-2,3-dichlorobenzoate
CID 103720382
(2-fluorophenyl)methyl 4-amino-2-hydroxybenzoate
CID 63933212
(2,6-dimethylphenyl)methyl 4-amino-2-chlorobenzoate
CID 78998446
(2-chloro-3-fluorophenyl)methyl 2-amino-4,5-difluorobenzoate
CID 115984109
(3-cyano-2-fluorophenyl)methyl 5-amino-2-fluorobenzoate
CID 107119254
[4-(hydroxymethyl)phenyl]methyl 4-amino-2-chlorobenzoate
CID 115970023
(2-chloro-4-cyanophenyl)methyl 4-amino-2-chlorobenzoate
CID 102669571

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)methyl 4-amino-2-chlorobenzoate?
The IUPAC name of (2,3-difluorophenyl)methyl 4-amino-2-chlorobenzoate (CID 61238817) is (2,3-difluorophenyl)methyl 4-amino-2-chlorobenzoate.
What is the SMILES notation for (2,3-difluorophenyl)methyl 4-amino-2-chlorobenzoate?
The canonical SMILES for (2,3-difluorophenyl)methyl 4-amino-2-chlorobenzoate is Nc1ccc(C(=O)OCc2cccc(F)c2F)c(Cl)c1.
What is the InChIKey of (2,3-difluorophenyl)methyl 4-amino-2-chlorobenzoate?
The InChIKey is UWOCBMPDDUQDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NO2/c15-11-6-9(18)4-5-10(11)14(19)20-7-8-2-1-3-12(16)13(8)17/h1-6H,7,18H2.
What are the key properties of (2,3-difluorophenyl)methyl 4-amino-2-chlorobenzoate?
(2,3-difluorophenyl)methyl 4-amino-2-chlorobenzoate has a molecular weight of 297.69 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)methyl 4-amino-2-chlorobenzoate is sourced from PubChem (CID 61238817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).