4-(2-aminoethoxy)-3,5-dichloro-N-phenylbenzamide

C15H14Cl2N2O2 — CID 24774191

IUPAC4-(2-aminoethoxy)-3,5-dichloro-N-phenylbenzamide
SMILESNCCOc1c(Cl)cc(C(=O)Nc2ccccc2)cc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c16-12-8-10(9-13(17)14(12)21-7-6-18)15(20)19-11-4-2-1-3-5-11/h1-5,8-9H,6-7,18H2,(H,19,20)
InChIKeyNLVTWSGESARIIQ-UHFFFAOYSA-N
MW325.19 g/mol
LogP3.58
Rot. Bonds5

About 4-(2-aminoethoxy)-3,5-dichloro-N-phenylbenzamide

4-(2-aminoethoxy)-3,5-dichloro-N-phenylbenzamide (PubChem CID 24774191) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.19 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-3,5-dichloro-N-phenylbenzamide.

Molecular Properties

Compound Name4-(2-aminoethoxy)-3,5-dichloro-N-phenylbenzamide
PubChem CID24774191
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.19 g/mol
Exact Mass324.04
IUPAC Name4-(2-aminoethoxy)-3,5-dichloro-N-phenylbenzamide
SMILESNCCOc1c(Cl)cc(C(=O)Nc2ccccc2)cc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c16-12-8-10(9-13(17)14(12)21-7-6-18)15(20)19-11-4-2-1-3-5-11/h1-5,8-9H,6-7,18H2,(H,19,20)
InChIKeyNLVTWSGESARIIQ-UHFFFAOYSA-N
XLogP3.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-3,5-dichloro-N-phenylbenzamide?
The IUPAC name of 4-(2-aminoethoxy)-3,5-dichloro-N-phenylbenzamide (CID 24774191) is 4-(2-aminoethoxy)-3,5-dichloro-N-phenylbenzamide.
What is the SMILES notation for 4-(2-aminoethoxy)-3,5-dichloro-N-phenylbenzamide?
The canonical SMILES for 4-(2-aminoethoxy)-3,5-dichloro-N-phenylbenzamide is NCCOc1c(Cl)cc(C(=O)Nc2ccccc2)cc1Cl.
What is the InChIKey of 4-(2-aminoethoxy)-3,5-dichloro-N-phenylbenzamide?
The InChIKey is NLVTWSGESARIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c16-12-8-10(9-13(17)14(12)21-7-6-18)15(20)19-11-4-2-1-3-5-11/h1-5,8-9H,6-7,18H2,(H,19,20).
What are the key properties of 4-(2-aminoethoxy)-3,5-dichloro-N-phenylbenzamide?
4-(2-aminoethoxy)-3,5-dichloro-N-phenylbenzamide has a molecular weight of 325.19 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-3,5-dichloro-N-phenylbenzamide is sourced from PubChem (CID 24774191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).