N-(8-chloro-6-methylnaphthalen-2-yl)acetamide

C13H12ClNO — CID 10728363

IUPACN-(8-chloro-6-methylnaphthalen-2-yl)acetamide
SMILESCC(=O)Nc1ccc2cc(C)cc(Cl)c2c1
InChIInChI=1S/C13H12ClNO/c1-8-5-10-3-4-11(15-9(2)16)7-12(10)13(14)6-8/h3-7H,1-2H3,(H,15,16)
InChIKeyQNRXWVLEDKDWTI-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.76
Rot. Bonds1

About N-(8-chloro-6-methylnaphthalen-2-yl)acetamide

N-(8-chloro-6-methylnaphthalen-2-yl)acetamide (PubChem CID 10728363) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is N-(8-chloro-6-methylnaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-(8-chloro-6-methylnaphthalen-2-yl)acetamide
PubChem CID10728363
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC NameN-(8-chloro-6-methylnaphthalen-2-yl)acetamide
SMILESCC(=O)Nc1ccc2cc(C)cc(Cl)c2c1
InChIInChI=1S/C13H12ClNO/c1-8-5-10-3-4-11(15-9(2)16)7-12(10)13(14)6-8/h3-7H,1-2H3,(H,15,16)
InChIKeyQNRXWVLEDKDWTI-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-6-methylnaphthalen-2-yl)acetamide?
The IUPAC name of N-(8-chloro-6-methylnaphthalen-2-yl)acetamide (CID 10728363) is N-(8-chloro-6-methylnaphthalen-2-yl)acetamide.
What is the SMILES notation for N-(8-chloro-6-methylnaphthalen-2-yl)acetamide?
The canonical SMILES for N-(8-chloro-6-methylnaphthalen-2-yl)acetamide is CC(=O)Nc1ccc2cc(C)cc(Cl)c2c1.
What is the InChIKey of N-(8-chloro-6-methylnaphthalen-2-yl)acetamide?
The InChIKey is QNRXWVLEDKDWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-8-5-10-3-4-11(15-9(2)16)7-12(10)13(14)6-8/h3-7H,1-2H3,(H,15,16).
What are the key properties of N-(8-chloro-6-methylnaphthalen-2-yl)acetamide?
N-(8-chloro-6-methylnaphthalen-2-yl)acetamide has a molecular weight of 233.70 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-6-methylnaphthalen-2-yl)acetamide is sourced from PubChem (CID 10728363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).