N-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide

C14H15ClN2O3 — CID 176899539

IUPACN-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide
SMILESCC(=O)Nc1cc(Cl)cc2c1C(=O)C(NC(C)=O)CC2
InChIInChI=1S/C14H15ClN2O3/c1-7(18)16-11-4-3-9-5-10(15)6-12(17-8(2)19)13(9)14(11)20/h5-6,11H,3-4H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyWZFRTCUNHFGDCZ-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.93
Rot. Bonds2

About N-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide

N-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide (PubChem CID 176899539) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is N-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide
PubChem CID176899539
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC NameN-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide
SMILESCC(=O)Nc1cc(Cl)cc2c1C(=O)C(NC(C)=O)CC2
InChIInChI=1S/C14H15ClN2O3/c1-7(18)16-11-4-3-9-5-10(15)6-12(17-8(2)19)13(9)14(11)20/h5-6,11H,3-4H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyWZFRTCUNHFGDCZ-UHFFFAOYSA-N
XLogP1.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-acetamido-6-fluoro-5-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide
CID 176899530
N-[8-(carbamothioylamino)-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]acetamide
CID 169359621
propyl N-[(2S)-8-acetamido-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]carbamate
CID 170267826
N-(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)acetamide
CID 110180187
N-(6-amino-2,3-dihydro-1H-inden-1-yl)acetamide
CID 18627846
N-[10-[2-(4-chlorophenyl)ethylamino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
CID 4837131
N-(6-chloro-1H-indol-4-yl)acetamide
CID 122534007
N-[(7S)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide;hydrochloride
CID 52944177
calcium;hydride;N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
CID 174772575
N-(11-iodo-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
CID 177117971
N-[(7S)-10-(ethylamino)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
CID 6992961
N-[(7S)-1-ethenoxy-2,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
CID 162666076

Frequently Asked Questions

What is the IUPAC name of N-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide?
The IUPAC name of N-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide (CID 176899539) is N-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide.
What is the SMILES notation for N-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide?
The canonical SMILES for N-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide is CC(=O)Nc1cc(Cl)cc2c1C(=O)C(NC(C)=O)CC2.
What is the InChIKey of N-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide?
The InChIKey is WZFRTCUNHFGDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-7(18)16-11-4-3-9-5-10(15)6-12(17-8(2)19)13(9)14(11)20/h5-6,11H,3-4H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide?
N-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide has a molecular weight of 294.74 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-acetamido-6-chloro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide is sourced from PubChem (CID 176899539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).