8-carbamoylnaphthalene-1-carboxylic acid

C12H9NO3 — CID 2777172

IUPAC8-carbamoylnaphthalene-1-carboxylic acid
SMILESNC(=O)c1cccc2cccc(C(=O)O)c12
InChIInChI=1S/C12H9NO3/c13-11(14)8-5-1-3-7-4-2-6-9(10(7)8)12(15)16/h1-6H,(H2,13,14)(H,15,16)
InChIKeyGRVIMBYDMARKEZ-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.64
Rot. Bonds2

About 8-carbamoylnaphthalene-1-carboxylic acid

8-carbamoylnaphthalene-1-carboxylic acid (PubChem CID 2777172) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 8-carbamoylnaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name8-carbamoylnaphthalene-1-carboxylic acid
PubChem CID2777172
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name8-carbamoylnaphthalene-1-carboxylic acid
SMILESNC(=O)c1cccc2cccc(C(=O)O)c12
InChIInChI=1S/C12H9NO3/c13-11(14)8-5-1-3-7-4-2-6-9(10(7)8)12(15)16/h1-6H,(H2,13,14)(H,15,16)
InChIKeyGRVIMBYDMARKEZ-UHFFFAOYSA-N
XLogP1.64
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Naphthoic acid
CID 6847
5-Carbamoyl-1,1':4',1''-terphenyl-3-carboxylic acid
CID 5287459
3-(Aminomethyl)benzoic acid
CID 506073
3-(4-Carbamoylphenyl)benzoic acid
CID 126484502
3-carbamoyl-5-[3-(3-methylphenyl)phenyl]benzoic Acid
CID 10687946
3-[3-(4-Tert-butylphenyl)phenyl]-5-carbamoylbenzoic acid
CID 10690749
3-carbamoyl-5-[3-(4-methylphenyl)phenyl]benzoic Acid
CID 10830342
3-(5-Benzyl-2-carbamoylphenyl)benzoic acid
CID 141721991
Naphthalic acid
CID 68204
3-Carbamoyl-5-{3-[4-(trifluoromethyl)phenyl]phenyl}benzoic acid
CID 10643787
3-Carbamoyl-5-{4-[4-(trifluoromethyl)phenyl]phenyl}benzoic acid
CID 10691466
3-Carbamoyl-5-[4-(4-methylphenyl)phenyl]benzoic acid
CID 23647298

Frequently Asked Questions

What is the IUPAC name of 8-carbamoylnaphthalene-1-carboxylic acid?
The IUPAC name of 8-carbamoylnaphthalene-1-carboxylic acid (CID 2777172) is 8-carbamoylnaphthalene-1-carboxylic acid.
What is the SMILES notation for 8-carbamoylnaphthalene-1-carboxylic acid?
The canonical SMILES for 8-carbamoylnaphthalene-1-carboxylic acid is NC(=O)c1cccc2cccc(C(=O)O)c12.
What is the InChIKey of 8-carbamoylnaphthalene-1-carboxylic acid?
The InChIKey is GRVIMBYDMARKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c13-11(14)8-5-1-3-7-4-2-6-9(10(7)8)12(15)16/h1-6H,(H2,13,14)(H,15,16).
What are the key properties of 8-carbamoylnaphthalene-1-carboxylic acid?
8-carbamoylnaphthalene-1-carboxylic acid has a molecular weight of 215.21 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-carbamoylnaphthalene-1-carboxylic acid is sourced from PubChem (CID 2777172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).