(2-chloro-6-fluorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate

C22H17ClFNO3 — CID 2535806

IUPAC(2-chloro-6-fluorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCc1c(F)cccc1Cl
InChIInChI=1S/C22H17ClFNO3/c23-19-7-4-8-20(24)18(19)14-28-21(26)13-25-22(27)17-11-9-16(10-12-17)15-5-2-1-3-6-15/h1-12H,13-14H2,(H,25,27)
InChIKeyUSJMIFIVGNRUED-UHFFFAOYSA-N
MW397.83 g/mol
LogP4.62
Rot. Bonds6

About (2-chloro-6-fluorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate

(2-chloro-6-fluorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate (PubChem CID 2535806) has the molecular formula C22H17ClFNO3 and a molecular weight of 397.83 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate
PubChem CID2535806
Molecular FormulaC22H17ClFNO3
Molecular Weight397.83 g/mol
Exact Mass397.09
IUPAC Name(2-chloro-6-fluorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCc1c(F)cccc1Cl
InChIInChI=1S/C22H17ClFNO3/c23-19-7-4-8-20(24)18(19)14-28-21(26)13-25-22(27)17-11-9-16(10-12-17)15-5-2-1-3-6-15/h1-12H,13-14H2,(H,25,27)
InChIKeyUSJMIFIVGNRUED-UHFFFAOYSA-N
XLogP4.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.83
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate (CID 2535806) is (2-chloro-6-fluorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate is O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCc1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate?
The InChIKey is USJMIFIVGNRUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFNO3/c23-19-7-4-8-20(24)18(19)14-28-21(26)13-25-22(27)17-11-9-16(10-12-17)15-5-2-1-3-6-15/h1-12H,13-14H2,(H,25,27).
What are the key properties of (2-chloro-6-fluorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate?
(2-chloro-6-fluorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate has a molecular weight of 397.83 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate is sourced from PubChem (CID 2535806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).