5-(3-chlorophenoxy)-N-propan-2-ylnaphthalene-2-carboxamide

C20H18ClNO2 — CID 155214233

IUPAC5-(3-chlorophenoxy)-N-propan-2-ylnaphthalene-2-carboxamide
SMILESCC(C)NC(=O)c1ccc2c(Oc3cccc(Cl)c3)cccc2c1
InChIInChI=1S/C20H18ClNO2/c1-13(2)22-20(23)15-9-10-18-14(11-15)5-3-8-19(18)24-17-7-4-6-16(21)12-17/h3-13H,1-2H3,(H,22,23)
InChIKeyFGQXJTHBGDFHCG-UHFFFAOYSA-N
MW339.82 g/mol
LogP5.42
Rot. Bonds4

About 5-(3-chlorophenoxy)-N-propan-2-ylnaphthalene-2-carboxamide

5-(3-chlorophenoxy)-N-propan-2-ylnaphthalene-2-carboxamide (PubChem CID 155214233) has the molecular formula C20H18ClNO2 and a molecular weight of 339.82 g/mol. Its IUPAC name is 5-(3-chlorophenoxy)-N-propan-2-ylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenoxy)-N-propan-2-ylnaphthalene-2-carboxamide
PubChem CID155214233
Molecular FormulaC20H18ClNO2
Molecular Weight339.82 g/mol
Exact Mass339.10
IUPAC Name5-(3-chlorophenoxy)-N-propan-2-ylnaphthalene-2-carboxamide
SMILESCC(C)NC(=O)c1ccc2c(Oc3cccc(Cl)c3)cccc2c1
InChIInChI=1S/C20H18ClNO2/c1-13(2)22-20(23)15-9-10-18-14(11-15)5-3-8-19(18)24-17-7-4-6-16(21)12-17/h3-13H,1-2H3,(H,22,23)
InChIKeyFGQXJTHBGDFHCG-UHFFFAOYSA-N
XLogP5.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.82
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenoxy)-N-propan-2-ylnaphthalene-2-carboxamide?
The IUPAC name of 5-(3-chlorophenoxy)-N-propan-2-ylnaphthalene-2-carboxamide (CID 155214233) is 5-(3-chlorophenoxy)-N-propan-2-ylnaphthalene-2-carboxamide.
What is the SMILES notation for 5-(3-chlorophenoxy)-N-propan-2-ylnaphthalene-2-carboxamide?
The canonical SMILES for 5-(3-chlorophenoxy)-N-propan-2-ylnaphthalene-2-carboxamide is CC(C)NC(=O)c1ccc2c(Oc3cccc(Cl)c3)cccc2c1.
What is the InChIKey of 5-(3-chlorophenoxy)-N-propan-2-ylnaphthalene-2-carboxamide?
The InChIKey is FGQXJTHBGDFHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2/c1-13(2)22-20(23)15-9-10-18-14(11-15)5-3-8-19(18)24-17-7-4-6-16(21)12-17/h3-13H,1-2H3,(H,22,23).
What are the key properties of 5-(3-chlorophenoxy)-N-propan-2-ylnaphthalene-2-carboxamide?
5-(3-chlorophenoxy)-N-propan-2-ylnaphthalene-2-carboxamide has a molecular weight of 339.82 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenoxy)-N-propan-2-ylnaphthalene-2-carboxamide is sourced from PubChem (CID 155214233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).