methyl 4-chloro-2-[[2-(2-fluorophenyl)acetyl]amino]benzoate

C16H13ClFNO3 — CID 2090617

IUPACmethyl 4-chloro-2-[[2-(2-fluorophenyl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1NC(=O)Cc1ccccc1F
InChIInChI=1S/C16H13ClFNO3/c1-22-16(21)12-7-6-11(17)9-14(12)19-15(20)8-10-4-2-3-5-13(10)18/h2-7,9H,8H2,1H3,(H,19,20)
InChIKeyRQQOYMKDGPGOLO-UHFFFAOYSA-N
MW321.74 g/mol
LogP3.45
Rot. Bonds4

About methyl 4-chloro-2-[[2-(2-fluorophenyl)acetyl]amino]benzoate

methyl 4-chloro-2-[[2-(2-fluorophenyl)acetyl]amino]benzoate (PubChem CID 2090617) has the molecular formula C16H13ClFNO3 and a molecular weight of 321.74 g/mol. Its IUPAC name is methyl 4-chloro-2-[[2-(2-fluorophenyl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[[2-(2-fluorophenyl)acetyl]amino]benzoate
PubChem CID2090617
Molecular FormulaC16H13ClFNO3
Molecular Weight321.74 g/mol
Exact Mass321.06
IUPAC Namemethyl 4-chloro-2-[[2-(2-fluorophenyl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1NC(=O)Cc1ccccc1F
InChIInChI=1S/C16H13ClFNO3/c1-22-16(21)12-7-6-11(17)9-14(12)19-15(20)8-10-4-2-3-5-13(10)18/h2-7,9H,8H2,1H3,(H,19,20)
InChIKeyRQQOYMKDGPGOLO-UHFFFAOYSA-N
XLogP3.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[[2-(2-fluorophenyl)acetyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-2-[[2-(2-fluorophenyl)acetyl]amino]benzoate (CID 2090617) is methyl 4-chloro-2-[[2-(2-fluorophenyl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-2-[[2-(2-fluorophenyl)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-2-[[2-(2-fluorophenyl)acetyl]amino]benzoate is COC(=O)c1ccc(Cl)cc1NC(=O)Cc1ccccc1F.
What is the InChIKey of methyl 4-chloro-2-[[2-(2-fluorophenyl)acetyl]amino]benzoate?
The InChIKey is RQQOYMKDGPGOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO3/c1-22-16(21)12-7-6-11(17)9-14(12)19-15(20)8-10-4-2-3-5-13(10)18/h2-7,9H,8H2,1H3,(H,19,20).
What are the key properties of methyl 4-chloro-2-[[2-(2-fluorophenyl)acetyl]amino]benzoate?
methyl 4-chloro-2-[[2-(2-fluorophenyl)acetyl]amino]benzoate has a molecular weight of 321.74 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[[2-(2-fluorophenyl)acetyl]amino]benzoate is sourced from PubChem (CID 2090617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).