4-(2-aminoethoxy)-3,5-dichloro-N-(3-propan-2-yloxyphenyl)benzamide

C18H20Cl2N2O3 — CID 23653530

IUPAC4-(2-aminoethoxy)-3,5-dichloro-N-(3-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1cccc(NC(=O)c2cc(Cl)c(OCCN)c(Cl)c2)c1
InChIInChI=1S/C18H20Cl2N2O3/c1-11(2)25-14-5-3-4-13(10-14)22-18(23)12-8-15(19)17(16(20)9-12)24-7-6-21/h3-5,8-11H,6-7,21H2,1-2H3,(H,22,23)
InChIKeyAYKUIRSGEMLIFT-UHFFFAOYSA-N
MW383.28 g/mol
LogP4.37
Rot. Bonds7

About 4-(2-aminoethoxy)-3,5-dichloro-N-(3-propan-2-yloxyphenyl)benzamide

4-(2-aminoethoxy)-3,5-dichloro-N-(3-propan-2-yloxyphenyl)benzamide (PubChem CID 23653530) has the molecular formula C18H20Cl2N2O3 and a molecular weight of 383.28 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-3,5-dichloro-N-(3-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name4-(2-aminoethoxy)-3,5-dichloro-N-(3-propan-2-yloxyphenyl)benzamide
PubChem CID23653530
Molecular FormulaC18H20Cl2N2O3
Molecular Weight383.28 g/mol
Exact Mass382.09
IUPAC Name4-(2-aminoethoxy)-3,5-dichloro-N-(3-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1cccc(NC(=O)c2cc(Cl)c(OCCN)c(Cl)c2)c1
InChIInChI=1S/C18H20Cl2N2O3/c1-11(2)25-14-5-3-4-13(10-14)22-18(23)12-8-15(19)17(16(20)9-12)24-7-6-21/h3-5,8-11H,6-7,21H2,1-2H3,(H,22,23)
InChIKeyAYKUIRSGEMLIFT-UHFFFAOYSA-N
XLogP4.37
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-3,5-dichloro-N-(3-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 4-(2-aminoethoxy)-3,5-dichloro-N-(3-propan-2-yloxyphenyl)benzamide (CID 23653530) is 4-(2-aminoethoxy)-3,5-dichloro-N-(3-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 4-(2-aminoethoxy)-3,5-dichloro-N-(3-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 4-(2-aminoethoxy)-3,5-dichloro-N-(3-propan-2-yloxyphenyl)benzamide is CC(C)Oc1cccc(NC(=O)c2cc(Cl)c(OCCN)c(Cl)c2)c1.
What is the InChIKey of 4-(2-aminoethoxy)-3,5-dichloro-N-(3-propan-2-yloxyphenyl)benzamide?
The InChIKey is AYKUIRSGEMLIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3/c1-11(2)25-14-5-3-4-13(10-14)22-18(23)12-8-15(19)17(16(20)9-12)24-7-6-21/h3-5,8-11H,6-7,21H2,1-2H3,(H,22,23).
What are the key properties of 4-(2-aminoethoxy)-3,5-dichloro-N-(3-propan-2-yloxyphenyl)benzamide?
4-(2-aminoethoxy)-3,5-dichloro-N-(3-propan-2-yloxyphenyl)benzamide has a molecular weight of 383.28 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-3,5-dichloro-N-(3-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 23653530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).