8-acetamidonaphthalene-1-carboxylic acid

C13H11NO3 — CID 163232881

IUPAC8-acetamidonaphthalene-1-carboxylic acid
SMILESCC(=O)Nc1cccc2cccc(C(=O)O)c12
InChIInChI=1S/C13H11NO3/c1-8(15)14-11-7-3-5-9-4-2-6-10(12(9)11)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyVLSKCBRZDGPFAA-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.50
Rot. Bonds2

About 8-acetamidonaphthalene-1-carboxylic acid

8-acetamidonaphthalene-1-carboxylic acid (PubChem CID 163232881) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is 8-acetamidonaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name8-acetamidonaphthalene-1-carboxylic acid
PubChem CID163232881
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Name8-acetamidonaphthalene-1-carboxylic acid
SMILESCC(=O)Nc1cccc2cccc(C(=O)O)c12
InChIInChI=1S/C13H11NO3/c1-8(15)14-11-7-3-5-9-4-2-6-10(12(9)11)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyVLSKCBRZDGPFAA-UHFFFAOYSA-N
XLogP2.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001
CID 170843062
CID 170843062
naphthalene-1,8-dicarboxylic acid;silver
CID 91865760
sodium;hydride;naphthalene-1,8-dicarboxylic acid
CID 175149963
8-(propylsulfonylamino)naphthalene-1-carboxylic acid
CID 71683584
8-(methoxycarbamoyl)naphthalene-1-carboxylic acid
CID 64974107
N-[8-(2-methoxyphenyl)naphthalen-1-yl]acetamide
CID 141351710
2-acetamido-6-methylbenzoic acid
CID 2801400
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]acetamide
CID 71323651
acetyl acetate;8-aminonaphthalen-1-ol;N-(8-hydroxynaphthalen-1-yl)acetamide
CID 162236933
2-acetyloxynaphthalene-1,8-dicarboxylic acid
CID 67684685
2-acetamidobenzoyl chloride
CID 12520814

Frequently Asked Questions

What is the IUPAC name of 8-acetamidonaphthalene-1-carboxylic acid?
The IUPAC name of 8-acetamidonaphthalene-1-carboxylic acid (CID 163232881) is 8-acetamidonaphthalene-1-carboxylic acid.
What is the SMILES notation for 8-acetamidonaphthalene-1-carboxylic acid?
The canonical SMILES for 8-acetamidonaphthalene-1-carboxylic acid is CC(=O)Nc1cccc2cccc(C(=O)O)c12.
What is the InChIKey of 8-acetamidonaphthalene-1-carboxylic acid?
The InChIKey is VLSKCBRZDGPFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-8(15)14-11-7-3-5-9-4-2-6-10(12(9)11)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17).
What are the key properties of 8-acetamidonaphthalene-1-carboxylic acid?
8-acetamidonaphthalene-1-carboxylic acid has a molecular weight of 229.23 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetamidonaphthalene-1-carboxylic acid is sourced from PubChem (CID 163232881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).