(2-chloro-6-fluorophenyl)methyl 2-amino-6-chlorobenzoate

C14H10Cl2FNO2 — CID 63661844

IUPAC(2-chloro-6-fluorophenyl)methyl 2-amino-6-chlorobenzoate
SMILESNc1cccc(Cl)c1C(=O)OCc1c(F)cccc1Cl
InChIInChI=1S/C14H10Cl2FNO2/c15-9-3-1-5-11(17)8(9)7-20-14(19)13-10(16)4-2-6-12(13)18/h1-6H,7,18H2
InChIKeyPIULLUUHITZROB-UHFFFAOYSA-N
MW314.14 g/mol
LogP4.07
Rot. Bonds3

About (2-chloro-6-fluorophenyl)methyl 2-amino-6-chlorobenzoate

(2-chloro-6-fluorophenyl)methyl 2-amino-6-chlorobenzoate (PubChem CID 63661844) has the molecular formula C14H10Cl2FNO2 and a molecular weight of 314.14 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl 2-amino-6-chlorobenzoate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl 2-amino-6-chlorobenzoate
PubChem CID63661844
Molecular FormulaC14H10Cl2FNO2
Molecular Weight314.14 g/mol
Exact Mass313.01
IUPAC Name(2-chloro-6-fluorophenyl)methyl 2-amino-6-chlorobenzoate
SMILESNc1cccc(Cl)c1C(=O)OCc1c(F)cccc1Cl
InChIInChI=1S/C14H10Cl2FNO2/c15-9-3-1-5-11(17)8(9)7-20-14(19)13-10(16)4-2-6-12(13)18/h1-6H,7,18H2
InChIKeyPIULLUUHITZROB-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

(2-chloro-6-fluorophenyl)methyl 2,3,4,5,6-pentafluorobenzoate
CID 91742427
(2,6-dichlorophenyl)methyl 2,3,4,5,6-pentafluorobenzoate
CID 91743056
(2-chloro-6-fluorophenyl)methyl 3-amino-4-methylbenzoate
CID 60665527
(4-ethylphenyl)methyl 2-amino-6-chlorobenzoate
CID 63663287
2-O-[(2-chloro-6-fluorophenyl)methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504991
(2-chloro-6-fluorophenyl)methyl naphthalene-1-carboxylate
CID 954125
(2-chloro-6-fluorophenyl)methyl 5-chloro-1,3-dimethylpyrazole-4-carboxylate
CID 46693449
2,2,2-trifluoroethyl 2-amino-6-chlorobenzoate
CID 63661327
(4-fluoro-2-methylphenyl)methyl 2-amino-6-chlorobenzoate
CID 114348586
(2-chloro-6-fluorophenyl)methyl 2-aminopropanoate
CID 82115903
(2,6-difluorophenyl)methyl 4-amino-3-chlorobenzoate
CID 103993256
(2-chloro-6-fluorophenyl)methyl 2-benzoylbenzoate
CID 1294400

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-amino-6-chlorobenzoate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-amino-6-chlorobenzoate (CID 63661844) is (2-chloro-6-fluorophenyl)methyl 2-amino-6-chlorobenzoate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl 2-amino-6-chlorobenzoate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl 2-amino-6-chlorobenzoate is Nc1cccc(Cl)c1C(=O)OCc1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl 2-amino-6-chlorobenzoate?
The InChIKey is PIULLUUHITZROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FNO2/c15-9-3-1-5-11(17)8(9)7-20-14(19)13-10(16)4-2-6-12(13)18/h1-6H,7,18H2.
What are the key properties of (2-chloro-6-fluorophenyl)methyl 2-amino-6-chlorobenzoate?
(2-chloro-6-fluorophenyl)methyl 2-amino-6-chlorobenzoate 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-chloro-6-fluorophenyl)methyl 2-amino-6-chlorobenzoate is sourced from PubChem (CID 63661844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).