(2,6-dichlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate

C22H17Cl2NO3 — CID 2366906

IUPAC(2,6-dichlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCc1c(Cl)cccc1Cl
InChIInChI=1S/C22H17Cl2NO3/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)
InChIKeyVFEJCFOBEVZLKI-UHFFFAOYSA-N
MW414.29 g/mol
LogP5.13
Rot. Bonds6

About (2,6-dichlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate

(2,6-dichlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate (PubChem CID 2366906) has the molecular formula C22H17Cl2NO3 and a molecular weight of 414.29 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate
PubChem CID2366906
Molecular FormulaC22H17Cl2NO3
Molecular Weight414.29 g/mol
Exact Mass413.06
IUPAC Name(2,6-dichlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCc1c(Cl)cccc1Cl
InChIInChI=1S/C22H17Cl2NO3/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)
InChIKeyVFEJCFOBEVZLKI-UHFFFAOYSA-N
XLogP5.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.29
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate?
The IUPAC name of (2,6-dichlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate (CID 2366906) is (2,6-dichlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate.
What is the SMILES notation for (2,6-dichlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate?
The canonical SMILES for (2,6-dichlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate is O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCc1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate?
The InChIKey is VFEJCFOBEVZLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2NO3/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 (2,6-dichlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate?
(2,6-dichlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate has a molecular weight of 414.29 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate is sourced from PubChem (CID 2366906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).