methyl 2-(2-chloroanilino)-2-(2-fluorophenyl)propanoate

C16H15ClFNO2 — CID 60992066

IUPACmethyl 2-(2-chloroanilino)-2-(2-fluorophenyl)propanoate
SMILESCOC(=O)C(C)(Nc1ccccc1Cl)c1ccccc1F
InChIInChI=1S/C16H15ClFNO2/c1-16(15(20)21-2,11-7-3-5-9-13(11)18)19-14-10-6-4-8-12(14)17/h3-10,19H,1-2H3
InChIKeyDAFJYZUXCOFZAN-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.98
Rot. Bonds4

About methyl 2-(2-chloroanilino)-2-(2-fluorophenyl)propanoate

methyl 2-(2-chloroanilino)-2-(2-fluorophenyl)propanoate (PubChem CID 60992066) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is methyl 2-(2-chloroanilino)-2-(2-fluorophenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-chloroanilino)-2-(2-fluorophenyl)propanoate
PubChem CID60992066
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Namemethyl 2-(2-chloroanilino)-2-(2-fluorophenyl)propanoate
SMILESCOC(=O)C(C)(Nc1ccccc1Cl)c1ccccc1F
InChIInChI=1S/C16H15ClFNO2/c1-16(15(20)21-2,11-7-3-5-9-13(11)18)19-14-10-6-4-8-12(14)17/h3-10,19H,1-2H3
InChIKeyDAFJYZUXCOFZAN-UHFFFAOYSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-fluorophenyl)-2-(4-methylanilino)propanoate
CID 60991205
methyl 2-(2-chloroanilino)-2-methylpropanoate
CID 60990978
methyl 2-(2-chloroanilino)-2-pyridin-4-ylpropanoate
CID 60992065
methyl 2-(2-fluorophenyl)-2-(prop-2-ynylamino)propanoate
CID 62367199
2-(2-fluoroanilino)-2-(2-fluorophenyl)propanamide
CID 60991023
methyl 2-(2-fluorophenyl)-2-(propylamino)propanoate
CID 60796122
methyl 2-(cyclopentylamino)-2-(2-fluorophenyl)propanoate
CID 54894107
methyl 2-(2-fluoroanilino)-2-pyridin-4-ylpropanoate
CID 60994884
2-(2-chloroanilino)-2-(3-chloro-4-fluorophenyl)propanamide
CID 60996580
2-chloro-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]benzamide
CID 97428331
2-(2-chloroanilino)-2-phenylpropanamide
CID 54891167
2-(2-chloroanilino)-2-(3-methoxyphenyl)propanamide
CID 60996698

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloroanilino)-2-(2-fluorophenyl)propanoate?
The IUPAC name of methyl 2-(2-chloroanilino)-2-(2-fluorophenyl)propanoate (CID 60992066) is methyl 2-(2-chloroanilino)-2-(2-fluorophenyl)propanoate.
What is the SMILES notation for methyl 2-(2-chloroanilino)-2-(2-fluorophenyl)propanoate?
The canonical SMILES for methyl 2-(2-chloroanilino)-2-(2-fluorophenyl)propanoate is COC(=O)C(C)(Nc1ccccc1Cl)c1ccccc1F.
What is the InChIKey of methyl 2-(2-chloroanilino)-2-(2-fluorophenyl)propanoate?
The InChIKey is DAFJYZUXCOFZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-16(15(20)21-2,11-7-3-5-9-13(11)18)19-14-10-6-4-8-12(14)17/h3-10,19H,1-2H3.
What are the key properties of methyl 2-(2-chloroanilino)-2-(2-fluorophenyl)propanoate?
methyl 2-(2-chloroanilino)-2-(2-fluorophenyl)propanoate has a molecular weight of 307.75 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloroanilino)-2-(2-fluorophenyl)propanoate is sourced from PubChem (CID 60992066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).