2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C13H16ClNO — CID 4961822

IUPAC2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCN(C(=O)CCl)C1CCCc2ccccc21
InChIInChI=1S/C13H16ClNO/c1-15(13(16)9-14)12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12H,4,6,8-9H2,1H3
InChIKeyFLTYMFJRZLOGIY-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.76
Rot. Bonds2

About 2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 4961822) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID4961822
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCN(C(=O)CCl)C1CCCc2ccccc21
InChIInChI=1S/C13H16ClNO/c1-15(13(16)9-14)12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12H,4,6,8-9H2,1H3
InChIKeyFLTYMFJRZLOGIY-UHFFFAOYSA-N
XLogP2.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 4961822) is 2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is CN(C(=O)CCl)C1CCCc2ccccc21.
What is the InChIKey of 2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is FLTYMFJRZLOGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-15(13(16)9-14)12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12H,4,6,8-9H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 237.73 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 4961822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).