(2-chloro-4-fluorophenyl)methyl 2-amino-6-methoxybenzoate

C15H13ClFNO3 — CID 81395079

IUPAC(2-chloro-4-fluorophenyl)methyl 2-amino-6-methoxybenzoate
SMILESCOc1cccc(N)c1C(=O)OCc1ccc(F)cc1Cl
InChIInChI=1S/C15H13ClFNO3/c1-20-13-4-2-3-12(18)14(13)15(19)21-8-9-5-6-10(17)7-11(9)16/h2-7H,8,18H2,1H3
InChIKeyUVROQOKAWKVPKX-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.43
Rot. Bonds4

About (2-chloro-4-fluorophenyl)methyl 2-amino-6-methoxybenzoate

(2-chloro-4-fluorophenyl)methyl 2-amino-6-methoxybenzoate (PubChem CID 81395079) has the molecular formula C15H13ClFNO3 and a molecular weight of 309.72 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)methyl 2-amino-6-methoxybenzoate.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)methyl 2-amino-6-methoxybenzoate
PubChem CID81395079
Molecular FormulaC15H13ClFNO3
Molecular Weight309.72 g/mol
Exact Mass309.06
IUPAC Name(2-chloro-4-fluorophenyl)methyl 2-amino-6-methoxybenzoate
SMILESCOc1cccc(N)c1C(=O)OCc1ccc(F)cc1Cl
InChIInChI=1S/C15H13ClFNO3/c1-20-13-4-2-3-12(18)14(13)15(19)21-8-9-5-6-10(17)7-11(9)16/h2-7H,8,18H2,1H3
InChIKeyUVROQOKAWKVPKX-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

(4-fluoro-2-methylphenyl)methyl 2-amino-6-chlorobenzoate
CID 114348586
(2-chloro-4-fluorophenyl)methyl 3-methoxybenzoate
CID 2215684
(2-cyano-5-fluorophenyl)methyl 2-amino-6-chlorobenzoate
CID 103760870
(2-chloro-4-fluorophenyl)methyl 2-(2-aminophenyl)acetate
CID 61321843
(2-chloro-4-fluorophenyl)methyl 3,5-diaminobenzoate
CID 61323117
(2-chloro-4-fluorophenyl)methyl 3-amino-5-fluoro-4-methylbenzoate
CID 61315278
(2-cyanophenyl)methyl 2-amino-6-methoxybenzoate
CID 81396523
(2-chloro-4-fluorophenyl)methyl 1-methylpyrrole-2-carboxylate
CID 55307502
(2-fluoro-3-methoxyphenyl)methyl 4-amino-3-chlorobenzoate
CID 104794399
methyl 2-amino-6-[(2-bromo-5-fluorophenyl)methoxy]benzoate
CID 107341847
(2-chloro-4-fluorophenyl)methyl 5-amino-2-bromo-4-fluorobenzoate
CID 62816495
(2-amino-2-oxoethyl) 2-amino-6-methoxybenzoate
CID 81414867

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)methyl 2-amino-6-methoxybenzoate?
The IUPAC name of (2-chloro-4-fluorophenyl)methyl 2-amino-6-methoxybenzoate (CID 81395079) is (2-chloro-4-fluorophenyl)methyl 2-amino-6-methoxybenzoate.
What is the SMILES notation for (2-chloro-4-fluorophenyl)methyl 2-amino-6-methoxybenzoate?
The canonical SMILES for (2-chloro-4-fluorophenyl)methyl 2-amino-6-methoxybenzoate is COc1cccc(N)c1C(=O)OCc1ccc(F)cc1Cl.
What is the InChIKey of (2-chloro-4-fluorophenyl)methyl 2-amino-6-methoxybenzoate?
The InChIKey is UVROQOKAWKVPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO3/c1-20-13-4-2-3-12(18)14(13)15(19)21-8-9-5-6-10(17)7-11(9)16/h2-7H,8,18H2,1H3.
What are the key properties of (2-chloro-4-fluorophenyl)methyl 2-amino-6-methoxybenzoate?
(2-chloro-4-fluorophenyl)methyl 2-amino-6-methoxybenzoate 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-chloro-4-fluorophenyl)methyl 2-amino-6-methoxybenzoate is sourced from PubChem (CID 81395079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).