N-[3-fluoro-7-(hydroxymethyl)-4,7-dimethyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide

C15H18FNO3 — CID 170751597

IUPACN-[3-fluoro-7-(hydroxymethyl)-4,7-dimethyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide
SMILESCC(=O)Nc1cc(F)c(C)c2c1C(=O)C(C)(CO)CC2
InChIInChI=1S/C15H18FNO3/c1-8-10-4-5-15(3,7-18)14(20)13(10)12(6-11(8)16)17-9(2)19/h6,18H,4-5,7H2,1-3H3,(H,17,19)
InChIKeyPDKCOSADAATSRE-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.22
Rot. Bonds2

About N-[3-fluoro-7-(hydroxymethyl)-4,7-dimethyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide

N-[3-fluoro-7-(hydroxymethyl)-4,7-dimethyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide (PubChem CID 170751597) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-[3-fluoro-7-(hydroxymethyl)-4,7-dimethyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-fluoro-7-(hydroxymethyl)-4,7-dimethyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide
PubChem CID170751597
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC NameN-[3-fluoro-7-(hydroxymethyl)-4,7-dimethyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide
SMILESCC(=O)Nc1cc(F)c(C)c2c1C(=O)C(C)(CO)CC2
InChIInChI=1S/C15H18FNO3/c1-8-10-4-5-15(3,7-18)14(20)13(10)12(6-11(8)16)17-9(2)19/h6,18H,4-5,7H2,1-3H3,(H,17,19)
InChIKeyPDKCOSADAATSRE-UHFFFAOYSA-N
XLogP2.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-fluoro-7,7-bis(hydroxymethyl)-4-methyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide
CID 170751898
N-[7-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-3-fluoro-7-hydroxy-4-methyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide
CID 172562413
propyl N-[(2S)-8-acetamido-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]carbamate
CID 170267826
N-[8-(carbamothioylamino)-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]acetamide
CID 169359621
N-(5-fluoro-2,4-dihydroxy-3-methylphenyl)acetamide
CID 89255342
N-(4-acetamido-2,5-difluorophenyl)acetamide
CID 176892585
N-(3,4-difluoro-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide
CID 22449548
N-[4-(2-cyanoethyl)-2,4-dimethyl-3-oxocyclohexen-1-yl]acetamide
CID 12592372
N-(8-acetamido-6-fluoro-5-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide
CID 176899530
2-(8-amino-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide
CID 175980560
4-fluoro-6-hydroxy-2,2,7-trimethyl-3H-inden-1-one
CID 69350261
N-(2,3,5-trifluoro-4-phenylphenyl)acetamide
CID 102132684

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-7-(hydroxymethyl)-4,7-dimethyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide?
The IUPAC name of N-[3-fluoro-7-(hydroxymethyl)-4,7-dimethyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide (CID 170751597) is N-[3-fluoro-7-(hydroxymethyl)-4,7-dimethyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide.
What is the SMILES notation for N-[3-fluoro-7-(hydroxymethyl)-4,7-dimethyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide?
The canonical SMILES for N-[3-fluoro-7-(hydroxymethyl)-4,7-dimethyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide is CC(=O)Nc1cc(F)c(C)c2c1C(=O)C(C)(CO)CC2.
What is the InChIKey of N-[3-fluoro-7-(hydroxymethyl)-4,7-dimethyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide?
The InChIKey is PDKCOSADAATSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-8-10-4-5-15(3,7-18)14(20)13(10)12(6-11(8)16)17-9(2)19/h6,18H,4-5,7H2,1-3H3,(H,17,19).
What are the key properties of N-[3-fluoro-7-(hydroxymethyl)-4,7-dimethyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide?
N-[3-fluoro-7-(hydroxymethyl)-4,7-dimethyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide has a molecular weight of 279.31 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-7-(hydroxymethyl)-4,7-dimethyl-8-oxo-5,6-dihydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 170751597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).