(3,4-dichlorophenyl)methyl 2-benzamidoacetate

C16H13Cl2NO3 — CID 891365

IUPAC(3,4-dichlorophenyl)methyl 2-benzamidoacetate
SMILESO=C(CNC(=O)c1ccccc1)OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl2NO3/c17-13-7-6-11(8-14(13)18)10-22-15(20)9-19-16(21)12-4-2-1-3-5-12/h1-8H,9-10H2,(H,19,21)
InChIKeyVDHNZCQSNYCRQE-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.47
Rot. Bonds5

About (3,4-dichlorophenyl)methyl 2-benzamidoacetate

(3,4-dichlorophenyl)methyl 2-benzamidoacetate (PubChem CID 891365) has the molecular formula C16H13Cl2NO3 and a molecular weight of 338.19 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl 2-benzamidoacetate.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl 2-benzamidoacetate
PubChem CID891365
Molecular FormulaC16H13Cl2NO3
Molecular Weight338.19 g/mol
Exact Mass337.03
IUPAC Name(3,4-dichlorophenyl)methyl 2-benzamidoacetate
SMILESO=C(CNC(=O)c1ccccc1)OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl2NO3/c17-13-7-6-11(8-14(13)18)10-22-15(20)9-19-16(21)12-4-2-1-3-5-12/h1-8H,9-10H2,(H,19,21)
InChIKeyVDHNZCQSNYCRQE-UHFFFAOYSA-N
XLogP3.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl 2-benzamidoacetate?
The IUPAC name of (3,4-dichlorophenyl)methyl 2-benzamidoacetate (CID 891365) is (3,4-dichlorophenyl)methyl 2-benzamidoacetate.
What is the SMILES notation for (3,4-dichlorophenyl)methyl 2-benzamidoacetate?
The canonical SMILES for (3,4-dichlorophenyl)methyl 2-benzamidoacetate is O=C(CNC(=O)c1ccccc1)OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)methyl 2-benzamidoacetate?
The InChIKey is VDHNZCQSNYCRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO3/c17-13-7-6-11(8-14(13)18)10-22-15(20)9-19-16(21)12-4-2-1-3-5-12/h1-8H,9-10H2,(H,19,21).
What are the key properties of (3,4-dichlorophenyl)methyl 2-benzamidoacetate?
(3,4-dichlorophenyl)methyl 2-benzamidoacetate has a molecular weight of 338.19 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methyl 2-benzamidoacetate is sourced from PubChem (CID 891365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).