6-(phenylcarbamoyl)naphthalene-2-carboxylic acid

C18H13NO3 — CID 57390877

IUPAC6-(phenylcarbamoyl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(C(=O)Nc3ccccc3)ccc2c1
InChIInChI=1S/C18H13NO3/c20-17(19-16-4-2-1-3-5-16)14-8-6-13-11-15(18(21)22)9-7-12(13)10-14/h1-11H,(H,19,20)(H,21,22)
InChIKeyGDJDMVVFDBFHGL-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.79
Rot. Bonds3

About 6-(phenylcarbamoyl)naphthalene-2-carboxylic acid

6-(phenylcarbamoyl)naphthalene-2-carboxylic acid (PubChem CID 57390877) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-(phenylcarbamoyl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-(phenylcarbamoyl)naphthalene-2-carboxylic acid
PubChem CID57390877
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC Name6-(phenylcarbamoyl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(C(=O)Nc3ccccc3)ccc2c1
InChIInChI=1S/C18H13NO3/c20-17(19-16-4-2-1-3-5-16)14-8-6-13-11-15(18(21)22)9-7-12(13)10-14/h1-11H,(H,19,20)(H,21,22)
InChIKeyGDJDMVVFDBFHGL-UHFFFAOYSA-N
XLogP3.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-phenylnaphthalene-2,6-dicarboxamide
CID 57399617
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
6-methoxy-7-(phenylcarbamoyl)naphthalene-2-carboxylic acid
CID 23118707
naphthalene-2-carboxylic acid
CID 175967775
4-[4-(phenylcarbamoyl)benzoyl]benzoic acid
CID 10315543
6-[amino-(hydroxyamino)methyl]-N-phenylnaphthalene-2-carboxamide
CID 21186382
4-(phenylcarbamoyl)benzene-1,3-dicarboxylic acid
CID 21240166
4-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylbenzamide
CID 170421564
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
hexacene-2-carboxylic acid
CID 87430666
CID 67200510
CID 67200510
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115

Frequently Asked Questions

What is the IUPAC name of 6-(phenylcarbamoyl)naphthalene-2-carboxylic acid?
The IUPAC name of 6-(phenylcarbamoyl)naphthalene-2-carboxylic acid (CID 57390877) is 6-(phenylcarbamoyl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-(phenylcarbamoyl)naphthalene-2-carboxylic acid?
The canonical SMILES for 6-(phenylcarbamoyl)naphthalene-2-carboxylic acid is O=C(O)c1ccc2cc(C(=O)Nc3ccccc3)ccc2c1.
What is the InChIKey of 6-(phenylcarbamoyl)naphthalene-2-carboxylic acid?
The InChIKey is GDJDMVVFDBFHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3/c20-17(19-16-4-2-1-3-5-16)14-8-6-13-11-15(18(21)22)9-7-12(13)10-14/h1-11H,(H,19,20)(H,21,22).
What are the key properties of 6-(phenylcarbamoyl)naphthalene-2-carboxylic acid?
6-(phenylcarbamoyl)naphthalene-2-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(phenylcarbamoyl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 57390877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).