3,5-dichloro-N-ethyl-N-phenyl-4-propoxybenzamide

C18H19Cl2NO2 — CID 18848298

IUPAC3,5-dichloro-N-ethyl-N-phenyl-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)N(CC)c2ccccc2)cc1Cl
InChIInChI=1S/C18H19Cl2NO2/c1-3-10-23-17-15(19)11-13(12-16(17)20)18(22)21(4-2)14-8-6-5-7-9-14/h5-9,11-12H,3-4,10H2,1-2H3
InChIKeyKFCHBKOMNYMCKY-UHFFFAOYSA-N
MW352.26 g/mol
LogP5.45
Rot. Bonds6

About 3,5-dichloro-N-ethyl-N-phenyl-4-propoxybenzamide

3,5-dichloro-N-ethyl-N-phenyl-4-propoxybenzamide (PubChem CID 18848298) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 3,5-dichloro-N-ethyl-N-phenyl-4-propoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-ethyl-N-phenyl-4-propoxybenzamide
PubChem CID18848298
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Name3,5-dichloro-N-ethyl-N-phenyl-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)N(CC)c2ccccc2)cc1Cl
InChIInChI=1S/C18H19Cl2NO2/c1-3-10-23-17-15(19)11-13(12-16(17)20)18(22)21(4-2)14-8-6-5-7-9-14/h5-9,11-12H,3-4,10H2,1-2H3
InChIKeyKFCHBKOMNYMCKY-UHFFFAOYSA-N
XLogP5.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.26
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-ethyl-N-phenyl-4-propoxybenzamide?
The IUPAC name of 3,5-dichloro-N-ethyl-N-phenyl-4-propoxybenzamide (CID 18848298) is 3,5-dichloro-N-ethyl-N-phenyl-4-propoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-ethyl-N-phenyl-4-propoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-ethyl-N-phenyl-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)N(CC)c2ccccc2)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-ethyl-N-phenyl-4-propoxybenzamide?
The InChIKey is KFCHBKOMNYMCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-3-10-23-17-15(19)11-13(12-16(17)20)18(22)21(4-2)14-8-6-5-7-9-14/h5-9,11-12H,3-4,10H2,1-2H3.
What are the key properties of 3,5-dichloro-N-ethyl-N-phenyl-4-propoxybenzamide?
3,5-dichloro-N-ethyl-N-phenyl-4-propoxybenzamide has a molecular weight of 352.26 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-ethyl-N-phenyl-4-propoxybenzamide is sourced from PubChem (CID 18848298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).