(4-fluorophenyl)methyl 4-amino-2-chlorobenzoate

C14H11ClFNO2 — CID 61236840

IUPAC(4-fluorophenyl)methyl 4-amino-2-chlorobenzoate
SMILESNc1ccc(C(=O)OCc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C14H11ClFNO2/c15-13-7-11(17)5-6-12(13)14(18)19-8-9-1-3-10(16)4-2-9/h1-7H,8,17H2
InChIKeyZDPWCWUQXSLHJD-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.42
Rot. Bonds3

About (4-fluorophenyl)methyl 4-amino-2-chlorobenzoate

(4-fluorophenyl)methyl 4-amino-2-chlorobenzoate (PubChem CID 61236840) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 4-amino-2-chlorobenzoate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 4-amino-2-chlorobenzoate
PubChem CID61236840
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name(4-fluorophenyl)methyl 4-amino-2-chlorobenzoate
SMILESNc1ccc(C(=O)OCc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C14H11ClFNO2/c15-13-7-11(17)5-6-12(13)14(18)19-8-9-1-3-10(16)4-2-9/h1-7H,8,17H2
InChIKeyZDPWCWUQXSLHJD-UHFFFAOYSA-N
XLogP3.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.42
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

[4-(hydroxymethyl)phenyl]methyl 4-amino-2-chlorobenzoate
CID 115970023
(4-fluorophenyl)methyl 4-amino-2-methoxybenzoate
CID 104783988
(3-chloro-4-fluorophenyl)methyl 4-amino-2-fluorobenzoate
CID 102979055
(4-chlorophenyl)methyl 2,4-dichlorobenzoate
CID 962047
(4-fluorophenyl)methyl 2-amino-3-chlorobenzoate
CID 115279798
(2-chloro-4-pyridinyl)methyl 4-amino-2-chlorobenzoate
CID 138041424
(2,3-difluorophenyl)methyl 4-amino-2-chlorobenzoate
CID 61238817
(3-chloro-4-fluorophenyl)methyl 4-amino-2-methylbenzoate
CID 103040758
2,2-difluoroethyl 4-amino-2-chlorobenzoate
CID 61322786
2-hydroxyethyl 4-amino-2-chlorobenzoate
CID 61322216
(3-chloro-4-fluorophenyl)methyl 2-amino-4-fluorobenzoate
CID 103040783
(2,6-dimethylphenyl)methyl 4-amino-2-chlorobenzoate
CID 78998446

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 4-amino-2-chlorobenzoate?
The IUPAC name of (4-fluorophenyl)methyl 4-amino-2-chlorobenzoate (CID 61236840) is (4-fluorophenyl)methyl 4-amino-2-chlorobenzoate.
What is the SMILES notation for (4-fluorophenyl)methyl 4-amino-2-chlorobenzoate?
The canonical SMILES for (4-fluorophenyl)methyl 4-amino-2-chlorobenzoate is Nc1ccc(C(=O)OCc2ccc(F)cc2)c(Cl)c1.
What is the InChIKey of (4-fluorophenyl)methyl 4-amino-2-chlorobenzoate?
The InChIKey is ZDPWCWUQXSLHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c15-13-7-11(17)5-6-12(13)14(18)19-8-9-1-3-10(16)4-2-9/h1-7H,8,17H2.
What are the key properties of (4-fluorophenyl)methyl 4-amino-2-chlorobenzoate?
(4-fluorophenyl)methyl 4-amino-2-chlorobenzoate has a molecular weight of 279.70 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 4-amino-2-chlorobenzoate is sourced from PubChem (CID 61236840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).