(2-fluoro-3-methoxyphenyl)methyl 4-amino-3-chlorobenzoate

C15H13ClFNO3 — CID 104794399

IUPAC(2-fluoro-3-methoxyphenyl)methyl 4-amino-3-chlorobenzoate
SMILESCOc1cccc(COC(=O)c2ccc(N)c(Cl)c2)c1F
InChIInChI=1S/C15H13ClFNO3/c1-20-13-4-2-3-10(14(13)17)8-21-15(19)9-5-6-12(18)11(16)7-9/h2-7H,8,18H2,1H3
InChIKeyRECRKBHGASEDFB-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.43
Rot. Bonds4

About (2-fluoro-3-methoxyphenyl)methyl 4-amino-3-chlorobenzoate

(2-fluoro-3-methoxyphenyl)methyl 4-amino-3-chlorobenzoate (PubChem CID 104794399) has the molecular formula C15H13ClFNO3 and a molecular weight of 309.72 g/mol. Its IUPAC name is (2-fluoro-3-methoxyphenyl)methyl 4-amino-3-chlorobenzoate.

Molecular Properties

Compound Name(2-fluoro-3-methoxyphenyl)methyl 4-amino-3-chlorobenzoate
PubChem CID104794399
Molecular FormulaC15H13ClFNO3
Molecular Weight309.72 g/mol
Exact Mass309.06
IUPAC Name(2-fluoro-3-methoxyphenyl)methyl 4-amino-3-chlorobenzoate
SMILESCOc1cccc(COC(=O)c2ccc(N)c(Cl)c2)c1F
InChIInChI=1S/C15H13ClFNO3/c1-20-13-4-2-3-10(14(13)17)8-21-15(19)9-5-6-12(18)11(16)7-9/h2-7H,8,18H2,1H3
InChIKeyRECRKBHGASEDFB-UHFFFAOYSA-N
XLogP3.43
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-fluoro-3-methoxyphenyl)methyl 4-amino-3-methylbenzoate
CID 104794363
(5-fluoro-2-methylphenyl)methyl 4-amino-3-chlorobenzoate
CID 105374664
(2-methoxy-5-methylphenyl)methyl 4-amino-3-chlorobenzoate
CID 78996965
(2,6-difluorophenyl)methyl 4-amino-3-chlorobenzoate
CID 103993256
(2-fluoro-3-methoxyphenyl)methyl 3-amino-2-methylbenzoate
CID 104794373
(3-chloro-2-fluorophenyl)methyl 2-amino-5-methoxybenzoate
CID 102858198
(3-chloro-2-fluorophenyl)methyl 3-amino-5-fluoro-4-methylbenzoate
CID 102858217
1-(3-chloro-4-iodophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 103214368
(2-chloro-4-fluorophenyl)methyl 2-amino-6-methoxybenzoate
CID 81395079
(2-chloro-3-fluorophenyl)methyl 3-amino-4-chlorobenzoate
CID 115984089
(2-chlorophenyl)methyl 3-amino-4-fluorobenzoate
CID 61277657
(2,4-difluorophenyl)methyl 3-amino-4-methoxybenzoate
CID 62197080

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methoxyphenyl)methyl 4-amino-3-chlorobenzoate?
The IUPAC name of (2-fluoro-3-methoxyphenyl)methyl 4-amino-3-chlorobenzoate (CID 104794399) is (2-fluoro-3-methoxyphenyl)methyl 4-amino-3-chlorobenzoate.
What is the SMILES notation for (2-fluoro-3-methoxyphenyl)methyl 4-amino-3-chlorobenzoate?
The canonical SMILES for (2-fluoro-3-methoxyphenyl)methyl 4-amino-3-chlorobenzoate is COc1cccc(COC(=O)c2ccc(N)c(Cl)c2)c1F.
What is the InChIKey of (2-fluoro-3-methoxyphenyl)methyl 4-amino-3-chlorobenzoate?
The InChIKey is RECRKBHGASEDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO3/c1-20-13-4-2-3-10(14(13)17)8-21-15(19)9-5-6-12(18)11(16)7-9/h2-7H,8,18H2,1H3.
What are the key properties of (2-fluoro-3-methoxyphenyl)methyl 4-amino-3-chlorobenzoate?
(2-fluoro-3-methoxyphenyl)methyl 4-amino-3-chlorobenzoate has a molecular weight of 309.72 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methoxyphenyl)methyl 4-amino-3-chlorobenzoate is sourced from PubChem (CID 104794399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).