(4-fluoro-2-methylphenyl)methyl 2-amino-6-chlorobenzoate

C15H13ClFNO2 — CID 114348586

IUPAC(4-fluoro-2-methylphenyl)methyl 2-amino-6-chlorobenzoate
SMILESCc1cc(F)ccc1COC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C15H13ClFNO2/c1-9-7-11(17)6-5-10(9)8-20-15(19)14-12(16)3-2-4-13(14)18/h2-7H,8,18H2,1H3
InChIKeyCJNRQTVAZKRQHQ-UHFFFAOYSA-N
MW293.72 g/mol
LogP3.73
Rot. Bonds3

About (4-fluoro-2-methylphenyl)methyl 2-amino-6-chlorobenzoate

(4-fluoro-2-methylphenyl)methyl 2-amino-6-chlorobenzoate (PubChem CID 114348586) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.72 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)methyl 2-amino-6-chlorobenzoate.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)methyl 2-amino-6-chlorobenzoate
PubChem CID114348586
Molecular FormulaC15H13ClFNO2
Molecular Weight293.72 g/mol
Exact Mass293.06
IUPAC Name(4-fluoro-2-methylphenyl)methyl 2-amino-6-chlorobenzoate
SMILESCc1cc(F)ccc1COC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C15H13ClFNO2/c1-9-7-11(17)6-5-10(9)8-20-15(19)14-12(16)3-2-4-13(14)18/h2-7H,8,18H2,1H3
InChIKeyCJNRQTVAZKRQHQ-UHFFFAOYSA-N
XLogP3.73
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 53.73
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-cyano-5-fluorophenyl)methyl 2-amino-6-chlorobenzoate
CID 103760870
(2-chloro-4-fluorophenyl)methyl 2-amino-6-methoxybenzoate
CID 81395079
(4-fluoro-2-methylphenyl)methyl 3-amino-2-methoxybenzoate
CID 114348602
2-amino-6-[(4-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107341632
(4-ethylphenyl)methyl 2-amino-6-chlorobenzoate
CID 63663287
(4-fluoro-2-methylphenyl)methyl 5-amino-2,4-dimethylbenzoate
CID 102706195
(2-chloro-6-fluorophenyl)methyl 2-amino-6-chlorobenzoate
CID 63661844
(4-fluoro-2-methylphenyl)methyl 4-amino-2,5-difluorobenzoate
CID 114348605
(2-chlorophenyl)methyl 4-fluoro-2-methylbenzoate
CID 113400401
(2-methylphenyl)methyl 2-amino-6-methylbenzoate
CID 61321743
(2-chloro-4-fluorophenyl)methyl 3-amino-5-fluoro-4-methylbenzoate
CID 61315278
methoxymethyl 2-amino-6-chlorobenzoate
CID 65364299

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)methyl 2-amino-6-chlorobenzoate?
The IUPAC name of (4-fluoro-2-methylphenyl)methyl 2-amino-6-chlorobenzoate (CID 114348586) is (4-fluoro-2-methylphenyl)methyl 2-amino-6-chlorobenzoate.
What is the SMILES notation for (4-fluoro-2-methylphenyl)methyl 2-amino-6-chlorobenzoate?
The canonical SMILES for (4-fluoro-2-methylphenyl)methyl 2-amino-6-chlorobenzoate is Cc1cc(F)ccc1COC(=O)c1c(N)cccc1Cl.
What is the InChIKey of (4-fluoro-2-methylphenyl)methyl 2-amino-6-chlorobenzoate?
The InChIKey is CJNRQTVAZKRQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c1-9-7-11(17)6-5-10(9)8-20-15(19)14-12(16)3-2-4-13(14)18/h2-7H,8,18H2,1H3.
What are the key properties of (4-fluoro-2-methylphenyl)methyl 2-amino-6-chlorobenzoate?
(4-fluoro-2-methylphenyl)methyl 2-amino-6-chlorobenzoate has a molecular weight of 293.72 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)methyl 2-amino-6-chlorobenzoate is sourced from PubChem (CID 114348586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).