2-chloro-2-(6-methoxynaphthalen-2-yl)-N-propylacetamide

C16H18ClNO2 — CID 62226439

IUPAC2-chloro-2-(6-methoxynaphthalen-2-yl)-N-propylacetamide
SMILESCCCNC(=O)C(Cl)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C16H18ClNO2/c1-3-8-18-16(19)15(17)13-5-4-12-10-14(20-2)7-6-11(12)9-13/h4-7,9-10,15H,3,8H2,1-2H3,(H,18,19)
InChIKeyGIJOPOUPGZYYJP-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.65
Rot. Bonds5

About 2-chloro-2-(6-methoxynaphthalen-2-yl)-N-propylacetamide

2-chloro-2-(6-methoxynaphthalen-2-yl)-N-propylacetamide (PubChem CID 62226439) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-chloro-2-(6-methoxynaphthalen-2-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-chloro-2-(6-methoxynaphthalen-2-yl)-N-propylacetamide
PubChem CID62226439
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-chloro-2-(6-methoxynaphthalen-2-yl)-N-propylacetamide
SMILESCCCNC(=O)C(Cl)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C16H18ClNO2/c1-3-8-18-16(19)15(17)13-5-4-12-10-14(20-2)7-6-11(12)9-13/h4-7,9-10,15H,3,8H2,1-2H3,(H,18,19)
InChIKeyGIJOPOUPGZYYJP-UHFFFAOYSA-N
XLogP3.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(6-methoxynaphthalen-2-yl)-N-propylacetamide?
The IUPAC name of 2-chloro-2-(6-methoxynaphthalen-2-yl)-N-propylacetamide (CID 62226439) is 2-chloro-2-(6-methoxynaphthalen-2-yl)-N-propylacetamide.
What is the SMILES notation for 2-chloro-2-(6-methoxynaphthalen-2-yl)-N-propylacetamide?
The canonical SMILES for 2-chloro-2-(6-methoxynaphthalen-2-yl)-N-propylacetamide is CCCNC(=O)C(Cl)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of 2-chloro-2-(6-methoxynaphthalen-2-yl)-N-propylacetamide?
The InChIKey is GIJOPOUPGZYYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-3-8-18-16(19)15(17)13-5-4-12-10-14(20-2)7-6-11(12)9-13/h4-7,9-10,15H,3,8H2,1-2H3,(H,18,19).
What are the key properties of 2-chloro-2-(6-methoxynaphthalen-2-yl)-N-propylacetamide?
2-chloro-2-(6-methoxynaphthalen-2-yl)-N-propylacetamide has a molecular weight of 291.78 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(6-methoxynaphthalen-2-yl)-N-propylacetamide is sourced from PubChem (CID 62226439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).