(5-bromo-2-fluorophenyl)methyl 5-amino-2-chlorobenzoate

C14H10BrClFNO2 — CID 61321831

IUPAC(5-bromo-2-fluorophenyl)methyl 5-amino-2-chlorobenzoate
SMILESNc1ccc(Cl)c(C(=O)OCc2cc(Br)ccc2F)c1
InChIInChI=1S/C14H10BrClFNO2/c15-9-1-4-13(17)8(5-9)7-20-14(19)11-6-10(18)2-3-12(11)16/h1-6H,7,18H2
InChIKeyFQNGYNNZIOPLAH-UHFFFAOYSA-N
MW358.59 g/mol
LogP4.18
Rot. Bonds3

About (5-bromo-2-fluorophenyl)methyl 5-amino-2-chlorobenzoate

(5-bromo-2-fluorophenyl)methyl 5-amino-2-chlorobenzoate (PubChem CID 61321831) has the molecular formula C14H10BrClFNO2 and a molecular weight of 358.59 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)methyl 5-amino-2-chlorobenzoate.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)methyl 5-amino-2-chlorobenzoate
PubChem CID61321831
Molecular FormulaC14H10BrClFNO2
Molecular Weight358.59 g/mol
Exact Mass356.96
IUPAC Name(5-bromo-2-fluorophenyl)methyl 5-amino-2-chlorobenzoate
SMILESNc1ccc(Cl)c(C(=O)OCc2cc(Br)ccc2F)c1
InChIInChI=1S/C14H10BrClFNO2/c15-9-1-4-13(17)8(5-9)7-20-14(19)11-6-10(18)2-3-12(11)16/h1-6H,7,18H2
InChIKeyFQNGYNNZIOPLAH-UHFFFAOYSA-N
XLogP4.18
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.59
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5-bromo-2-fluorophenyl)methyl 5-amino-2-chlorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-bromo-2-fluorophenyl)methyl 4-amino-2-methoxybenzoate
CID 104784155
(5-bromo-2-fluorophenyl)methyl 3-amino-5-methoxybenzoate
CID 81094852
3-[(5-bromo-2-fluorophenyl)methylsulfinyl]-4-chloroaniline
CID 81201986
(2-chloro-5-fluorophenyl)methyl 2-amino-5-chlorobenzoate
CID 102619590
(5-chloro-2-fluorophenyl)methyl 5-amino-2,4-dimethylbenzoate
CID 103049423
(2-fluorophenyl)methyl 5-amino-2,3-dichlorobenzoate
CID 103720382
(5-bromo-2-methoxyphenyl)methyl 2-amino-5-chlorobenzoate
CID 63450456
(5-bromo-2-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61316831
(5-chloro-2-fluorophenyl)methyl 3-amino-4-chlorobenzoate
CID 103049371
(2,3-difluorophenyl)methyl 4-amino-2-chlorobenzoate
CID 61238817
(2,5-difluorophenyl)methyl 2-amino-3-chlorobenzoate
CID 115547754
(3-chloro-4-fluorophenyl)methyl 4-amino-2-fluorobenzoate
CID 102979055

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)methyl 5-amino-2-chlorobenzoate?
The IUPAC name of (5-bromo-2-fluorophenyl)methyl 5-amino-2-chlorobenzoate (CID 61321831) is (5-bromo-2-fluorophenyl)methyl 5-amino-2-chlorobenzoate.
What is the SMILES notation for (5-bromo-2-fluorophenyl)methyl 5-amino-2-chlorobenzoate?
The canonical SMILES for (5-bromo-2-fluorophenyl)methyl 5-amino-2-chlorobenzoate is Nc1ccc(Cl)c(C(=O)OCc2cc(Br)ccc2F)c1.
What is the InChIKey of (5-bromo-2-fluorophenyl)methyl 5-amino-2-chlorobenzoate?
The InChIKey is FQNGYNNZIOPLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO2/c15-9-1-4-13(17)8(5-9)7-20-14(19)11-6-10(18)2-3-12(11)16/h1-6H,7,18H2.
What are the key properties of (5-bromo-2-fluorophenyl)methyl 5-amino-2-chlorobenzoate?
(5-bromo-2-fluorophenyl)methyl 5-amino-2-chlorobenzoate has a molecular weight of 358.59 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)methyl 5-amino-2-chlorobenzoate is sourced from PubChem (CID 61321831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).