methyl 2-(3-chloroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetate

C15H13ClFNO3 — CID 107690201

IUPACmethyl 2-(3-chloroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetate
SMILESCOC(=O)C(Nc1cccc(Cl)c1)c1ccc(O)c(F)c1
InChIInChI=1S/C15H13ClFNO3/c1-21-15(20)14(9-5-6-13(19)12(17)7-9)18-11-4-2-3-10(16)8-11/h2-8,14,18-19H,1H3
InChIKeyMAVRVYRXVZFSFS-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.51
Rot. Bonds4

About methyl 2-(3-chloroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetate

methyl 2-(3-chloroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetate (PubChem CID 107690201) has the molecular formula C15H13ClFNO3 and a molecular weight of 309.72 g/mol. Its IUPAC name is methyl 2-(3-chloroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-chloroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetate
PubChem CID107690201
Molecular FormulaC15H13ClFNO3
Molecular Weight309.72 g/mol
Exact Mass309.06
IUPAC Namemethyl 2-(3-chloroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetate
SMILESCOC(=O)C(Nc1cccc(Cl)c1)c1ccc(O)c(F)c1
InChIInChI=1S/C15H13ClFNO3/c1-21-15(20)14(9-5-6-13(19)12(17)7-9)18-11-4-2-3-10(16)8-11/h2-8,14,18-19H,1H3
InChIKeyMAVRVYRXVZFSFS-UHFFFAOYSA-N
XLogP3.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-bromo-4-fluorophenyl)-2-(3-chloroanilino)acetate
CID 60991555
methyl 2-(3-chloroanilino)-2-(2,6-difluorophenyl)acetate
CID 60991681
methyl 2-(3-chloroanilino)-2-(2-chloro-6-fluorophenyl)acetate
CID 60991814
2-anilino-2-(3-fluoro-4-hydroxyphenyl)acetic acid
CID 107690184
2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)acetamide
CID 65027018
methyl 2-(cyclopropylamino)-2-(3-fluoro-4-hydroxyphenyl)acetate
CID 107690174
methyl 2-(4-fluorophenyl)-2-(3-methylanilino)acetate
CID 60993493
methyl 2-(3-bromoanilino)-2-(3,4-dichlorophenyl)acetate
CID 63524457
2-(3-chloroanilino)-2-(4-methoxyphenyl)acetic acid
CID 60990738
methyl 2-(4-bromophenyl)-2-(3-fluoroanilino)acetate
CID 60993451
2-(3-chloroanilino)-2-(3,4-dichlorophenyl)acetamide
CID 61005060
methyl 2-(cyclopropylmethylamino)-2-(3-fluoro-4-hydroxyphenyl)acetate
CID 107690278

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-chloroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetate?
The IUPAC name of methyl 2-(3-chloroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetate (CID 107690201) is methyl 2-(3-chloroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetate.
What is the SMILES notation for methyl 2-(3-chloroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetate?
The canonical SMILES for methyl 2-(3-chloroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetate is COC(=O)C(Nc1cccc(Cl)c1)c1ccc(O)c(F)c1.
What is the InChIKey of methyl 2-(3-chloroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetate?
The InChIKey is MAVRVYRXVZFSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO3/c1-21-15(20)14(9-5-6-13(19)12(17)7-9)18-11-4-2-3-10(16)8-11/h2-8,14,18-19H,1H3.
What are the key properties of methyl 2-(3-chloroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetate?
methyl 2-(3-chloroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetate has a molecular weight of 309.72 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-chloroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetate is sourced from PubChem (CID 107690201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).