2-(6-chloronaphthalen-2-yl)-N-ethyl-2-oxoacetamide

C14H12ClNO2 — CID 163899595

IUPAC2-(6-chloronaphthalen-2-yl)-N-ethyl-2-oxoacetamide
SMILESCCNC(=O)C(=O)c1ccc2cc(Cl)ccc2c1
InChIInChI=1S/C14H12ClNO2/c1-2-16-14(18)13(17)11-4-3-10-8-12(15)6-5-9(10)7-11/h3-8H,2H2,1H3,(H,16,18)
InChIKeyQIQRHHUFEIPKTD-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.81
Rot. Bonds3

About 2-(6-chloronaphthalen-2-yl)-N-ethyl-2-oxoacetamide

2-(6-chloronaphthalen-2-yl)-N-ethyl-2-oxoacetamide (PubChem CID 163899595) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-(6-chloronaphthalen-2-yl)-N-ethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(6-chloronaphthalen-2-yl)-N-ethyl-2-oxoacetamide
PubChem CID163899595
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name2-(6-chloronaphthalen-2-yl)-N-ethyl-2-oxoacetamide
SMILESCCNC(=O)C(=O)c1ccc2cc(Cl)ccc2c1
InChIInChI=1S/C14H12ClNO2/c1-2-16-14(18)13(17)11-4-3-10-8-12(15)6-5-9(10)7-11/h3-8H,2H2,1H3,(H,16,18)
InChIKeyQIQRHHUFEIPKTD-UHFFFAOYSA-N
XLogP2.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(4-fluoro-3-methylphenyl)-2-oxoacetamide
CID 82113156
methyl 6-chloronaphthalene-2-carboxylate
CID 13384252
ethyl 4-(6-chloronaphthalen-2-yl)-4-oxobut-2-ynoate
CID 142618615
6-chloro-N-ethyl-1H-indole-2-carboxamide
CID 47172452
N-butyl-2-(4-fluoro-3-methylphenyl)-2-oxoacetamide
CID 94263669
N-ethylisoquinoline-6-carboxamide
CID 110485080
2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
2-(4-chloro-2-methylphenyl)-N-ethylacetamide
CID 142912369
N-[2-[2-(3-aminopropylamino)-2-oxoacetyl]-4-chlorophenyl]naphthalene-2-carboxamide;hydrochloride
CID 139413786
2-(2,5-dichloro-3,4-dihydroxyphenyl)-N-ethyl-2-oxoacetamide
CID 118461197
1-(6-chloronaphthalen-2-yl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 12952373
N-ethyl-4-fluoro-3-hydroxybenzamide
CID 130057561

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloronaphthalen-2-yl)-N-ethyl-2-oxoacetamide?
The IUPAC name of 2-(6-chloronaphthalen-2-yl)-N-ethyl-2-oxoacetamide (CID 163899595) is 2-(6-chloronaphthalen-2-yl)-N-ethyl-2-oxoacetamide.
What is the SMILES notation for 2-(6-chloronaphthalen-2-yl)-N-ethyl-2-oxoacetamide?
The canonical SMILES for 2-(6-chloronaphthalen-2-yl)-N-ethyl-2-oxoacetamide is CCNC(=O)C(=O)c1ccc2cc(Cl)ccc2c1.
What is the InChIKey of 2-(6-chloronaphthalen-2-yl)-N-ethyl-2-oxoacetamide?
The InChIKey is QIQRHHUFEIPKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-2-16-14(18)13(17)11-4-3-10-8-12(15)6-5-9(10)7-11/h3-8H,2H2,1H3,(H,16,18).
What are the key properties of 2-(6-chloronaphthalen-2-yl)-N-ethyl-2-oxoacetamide?
2-(6-chloronaphthalen-2-yl)-N-ethyl-2-oxoacetamide has a molecular weight of 261.71 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloronaphthalen-2-yl)-N-ethyl-2-oxoacetamide is sourced from PubChem (CID 163899595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).