(2-chlorophenyl)methyl 3-amino-4-fluorobenzoate

C14H11ClFNO2 — CID 61277657

IUPAC(2-chlorophenyl)methyl 3-amino-4-fluorobenzoate
SMILESNc1cc(C(=O)OCc2ccccc2Cl)ccc1F
InChIInChI=1S/C14H11ClFNO2/c15-11-4-2-1-3-10(11)8-19-14(18)9-5-6-12(16)13(17)7-9/h1-7H,8,17H2
InChIKeyMJSVSNOSVNTVOA-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.42
Rot. Bonds3

About (2-chlorophenyl)methyl 3-amino-4-fluorobenzoate

(2-chlorophenyl)methyl 3-amino-4-fluorobenzoate (PubChem CID 61277657) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 3-amino-4-fluorobenzoate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 3-amino-4-fluorobenzoate
PubChem CID61277657
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name(2-chlorophenyl)methyl 3-amino-4-fluorobenzoate
SMILESNc1cc(C(=O)OCc2ccccc2Cl)ccc1F
InChIInChI=1S/C14H11ClFNO2/c15-11-4-2-1-3-10(11)8-19-14(18)9-5-6-12(16)13(17)7-9/h1-7H,8,17H2
InChIKeyMJSVSNOSVNTVOA-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

(2-chlorophenyl)methyl 4-amino-3-hydroxybenzoate
CID 61277658
(2-chloro-3-fluorophenyl)methyl 3-amino-4-chlorobenzoate
CID 115984089
(5-chloro-2-fluorophenyl)methyl 3-amino-4-chlorobenzoate
CID 103049371
(2,4-dichlorophenyl)methyl 3-amino-4-chlorobenzoate
CID 16578139
(3-chloro-2-fluorophenyl)methyl 3-amino-5-fluoro-4-methylbenzoate
CID 102858217
(2-chlorophenyl)methyl 6-bromopyridine-3-carboxylate
CID 66465143
(2-fluorophenyl)methyl 4-fluoro-3-methylbenzoate
CID 63283831
(2-chlorophenyl)methyl 4-fluoro-2-methylbenzoate
CID 113400401
(2-chloro-6-fluorophenyl)methyl 3-amino-4-methylbenzoate
CID 60665527
(2-chloro-3-fluorophenyl)methyl 3-amino-5-fluoro-4-methylbenzoate
CID 115984102
(2,6-difluorophenyl)methyl 4-amino-3-chlorobenzoate
CID 103993256
(2-chlorophenyl)methyl 4-methyl-3-nitrobenzoate
CID 2628635

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 3-amino-4-fluorobenzoate?
The IUPAC name of (2-chlorophenyl)methyl 3-amino-4-fluorobenzoate (CID 61277657) is (2-chlorophenyl)methyl 3-amino-4-fluorobenzoate.
What is the SMILES notation for (2-chlorophenyl)methyl 3-amino-4-fluorobenzoate?
The canonical SMILES for (2-chlorophenyl)methyl 3-amino-4-fluorobenzoate is Nc1cc(C(=O)OCc2ccccc2Cl)ccc1F.
What is the InChIKey of (2-chlorophenyl)methyl 3-amino-4-fluorobenzoate?
The InChIKey is MJSVSNOSVNTVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c15-11-4-2-1-3-10(11)8-19-14(18)9-5-6-12(16)13(17)7-9/h1-7H,8,17H2.
What are the key properties of (2-chlorophenyl)methyl 3-amino-4-fluorobenzoate?
(2-chlorophenyl)methyl 3-amino-4-fluorobenzoate 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 (2-chlorophenyl)methyl 3-amino-4-fluorobenzoate is sourced from PubChem (CID 61277657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).