(5-fluoro-2-methylphenyl)methyl 4-amino-3-chlorobenzoate

C15H13ClFNO2 — CID 105374664

IUPAC(5-fluoro-2-methylphenyl)methyl 4-amino-3-chlorobenzoate
SMILESCc1ccc(F)cc1COC(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C15H13ClFNO2/c1-9-2-4-12(17)6-11(9)8-20-15(19)10-3-5-14(18)13(16)7-10/h2-7H,8,18H2,1H3
InChIKeyHYFDBJZMEDUZTB-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.73
Rot. Bonds3

About (5-fluoro-2-methylphenyl)methyl 4-amino-3-chlorobenzoate

(5-fluoro-2-methylphenyl)methyl 4-amino-3-chlorobenzoate (PubChem CID 105374664) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)methyl 4-amino-3-chlorobenzoate.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)methyl 4-amino-3-chlorobenzoate
PubChem CID105374664
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Name(5-fluoro-2-methylphenyl)methyl 4-amino-3-chlorobenzoate
SMILESCc1ccc(F)cc1COC(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C15H13ClFNO2/c1-9-2-4-12(17)6-11(9)8-20-15(19)10-3-5-14(18)13(16)7-10/h2-7H,8,18H2,1H3
InChIKeyHYFDBJZMEDUZTB-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 ≤ 500293.73
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

(5-fluoro-2-methylphenyl)methyl 3-amino-4-methoxybenzoate
CID 105374614
(2-fluoro-3-methoxyphenyl)methyl 4-amino-3-chlorobenzoate
CID 104794399
(2,5-dimethylphenyl)methyl 4-amino-3-fluorobenzoate
CID 62681353
methyl 4-amino-3-[(5-fluoro-2-methylphenyl)methoxy]benzoate
CID 105372375
(2-methoxy-5-methylphenyl)methyl 4-amino-3-chlorobenzoate
CID 78996965
(2-bromo-5-fluorophenyl)methyl 3-amino-4-chlorobenzoate
CID 63450673
(2,6-difluorophenyl)methyl 4-amino-3-chlorobenzoate
CID 103993256
(4-fluorophenyl)methyl 3-amino-4-methylbenzoate
CID 60665526
(4-fluorophenyl)methyl 4-amino-3-methylbenzoate
CID 61322774
(5-fluoro-2-methylphenyl)methyl 5-amino-2-fluorobenzoate
CID 105374630
(5-fluoro-2-methylphenyl)methyl 5-amino-2-fluoro-3-methylbenzoate
CID 103297925
(5-fluoro-2-methylphenyl)methyl 2-amino-3-methylbenzoate
CID 105374623

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)methyl 4-amino-3-chlorobenzoate?
The IUPAC name of (5-fluoro-2-methylphenyl)methyl 4-amino-3-chlorobenzoate (CID 105374664) is (5-fluoro-2-methylphenyl)methyl 4-amino-3-chlorobenzoate.
What is the SMILES notation for (5-fluoro-2-methylphenyl)methyl 4-amino-3-chlorobenzoate?
The canonical SMILES for (5-fluoro-2-methylphenyl)methyl 4-amino-3-chlorobenzoate is Cc1ccc(F)cc1COC(=O)c1ccc(N)c(Cl)c1.
What is the InChIKey of (5-fluoro-2-methylphenyl)methyl 4-amino-3-chlorobenzoate?
The InChIKey is HYFDBJZMEDUZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c1-9-2-4-12(17)6-11(9)8-20-15(19)10-3-5-14(18)13(16)7-10/h2-7H,8,18H2,1H3.
What are the key properties of (5-fluoro-2-methylphenyl)methyl 4-amino-3-chlorobenzoate?
(5-fluoro-2-methylphenyl)methyl 4-amino-3-chlorobenzoate has a molecular weight of 293.73 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 (5-fluoro-2-methylphenyl)methyl 4-amino-3-chlorobenzoate is sourced from PubChem (CID 105374664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).