methyl 2-(3-chloroanilino)-2-(2-chloro-6-fluorophenyl)acetate

C15H12Cl2FNO2 — CID 60991814

IUPACmethyl 2-(3-chloroanilino)-2-(2-chloro-6-fluorophenyl)acetate
SMILESCOC(=O)C(Nc1cccc(Cl)c1)c1c(F)cccc1Cl
InChIInChI=1S/C15H12Cl2FNO2/c1-21-15(20)14(13-11(17)6-3-7-12(13)18)19-10-5-2-4-9(16)8-10/h2-8,14,19H,1H3
InChIKeyHHWUITMTOCMYKT-UHFFFAOYSA-N
MW328.17 g/mol
LogP4.46
Rot. Bonds4

About methyl 2-(3-chloroanilino)-2-(2-chloro-6-fluorophenyl)acetate

methyl 2-(3-chloroanilino)-2-(2-chloro-6-fluorophenyl)acetate (PubChem CID 60991814) has the molecular formula C15H12Cl2FNO2 and a molecular weight of 328.17 g/mol. Its IUPAC name is methyl 2-(3-chloroanilino)-2-(2-chloro-6-fluorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-chloroanilino)-2-(2-chloro-6-fluorophenyl)acetate
PubChem CID60991814
Molecular FormulaC15H12Cl2FNO2
Molecular Weight328.17 g/mol
Exact Mass327.02
IUPAC Namemethyl 2-(3-chloroanilino)-2-(2-chloro-6-fluorophenyl)acetate
SMILESCOC(=O)C(Nc1cccc(Cl)c1)c1c(F)cccc1Cl
InChIInChI=1S/C15H12Cl2FNO2/c1-21-15(20)14(13-11(17)6-3-7-12(13)18)19-10-5-2-4-9(16)8-10/h2-8,14,19H,1H3
InChIKeyHHWUITMTOCMYKT-UHFFFAOYSA-N
XLogP4.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3-chloroanilino)-2-(2,6-difluorophenyl)acetate
CID 60991681
methyl 2-anilino-2-(2,6-difluorophenyl)acetate
CID 60991084
methyl 2-(3-bromo-4-fluorophenyl)-2-(3-chloroanilino)acetate
CID 60991555
methyl 2-(3-chloroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetate
CID 107690201
2-(3-chloroanilino)-2-(2,6-dichlorophenyl)acetamide
CID 61006415
methyl 2-(2-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetate
CID 60994408
2-(3-chloroanilino)-2-(2-chloro-6-methoxyphenyl)acetic acid
CID 104816535
1-(2-chloro-6-fluorophenyl)-N-(3-chlorophenyl)ethane-1,2-diamine
CID 65384020
2-(3-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetic acid
CID 60993002
methyl 2-(2,6-difluorophenyl)-2-(4-methylanilino)acetate
CID 60991906
methyl 2-anilino-2-(2-chloro-6-methoxyphenyl)acetate
CID 104816532
2-(3-chloroanilino)-2-(2,3-difluorophenyl)acetamide
CID 63667747

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-chloroanilino)-2-(2-chloro-6-fluorophenyl)acetate?
The IUPAC name of methyl 2-(3-chloroanilino)-2-(2-chloro-6-fluorophenyl)acetate (CID 60991814) is methyl 2-(3-chloroanilino)-2-(2-chloro-6-fluorophenyl)acetate.
What is the SMILES notation for methyl 2-(3-chloroanilino)-2-(2-chloro-6-fluorophenyl)acetate?
The canonical SMILES for methyl 2-(3-chloroanilino)-2-(2-chloro-6-fluorophenyl)acetate is COC(=O)C(Nc1cccc(Cl)c1)c1c(F)cccc1Cl.
What is the InChIKey of methyl 2-(3-chloroanilino)-2-(2-chloro-6-fluorophenyl)acetate?
The InChIKey is HHWUITMTOCMYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNO2/c1-21-15(20)14(13-11(17)6-3-7-12(13)18)19-10-5-2-4-9(16)8-10/h2-8,14,19H,1H3.
What are the key properties of methyl 2-(3-chloroanilino)-2-(2-chloro-6-fluorophenyl)acetate?
methyl 2-(3-chloroanilino)-2-(2-chloro-6-fluorophenyl)acetate has a molecular weight of 328.17 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-chloroanilino)-2-(2-chloro-6-fluorophenyl)acetate is sourced from PubChem (CID 60991814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).