2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)benzoic acid

C18H17NO3 — CID 3606560

IUPAC2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NC1CCCc2ccccc21
InChIInChI=1S/C18H17NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-4,6,8-10,16H,5,7,11H2,(H,19,20)(H,21,22)
InChIKeyGKOZHAHJPKNYTF-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.19
Rot. Bonds3

About 2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)benzoic acid

2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)benzoic acid (PubChem CID 3606560) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)benzoic acid
PubChem CID3606560
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NC1CCCc2ccccc21
InChIInChI=1S/C18H17NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-4,6,8-10,16H,5,7,11H2,(H,19,20)(H,21,22)
InChIKeyGKOZHAHJPKNYTF-UHFFFAOYSA-N
XLogP3.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)benzoic acid?
The IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)benzoic acid (CID 3606560) is 2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)benzoic acid.
What is the SMILES notation for 2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)benzoic acid?
The canonical SMILES for 2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)benzoic acid is O=C(O)c1ccccc1C(=O)NC1CCCc2ccccc21.
What is the InChIKey of 2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)benzoic acid?
The InChIKey is GKOZHAHJPKNYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-4,6,8-10,16H,5,7,11H2,(H,19,20)(H,21,22).
What are the key properties of 2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)benzoic acid?
2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)benzoic acid has a molecular weight of 295.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)benzoic acid is sourced from PubChem (CID 3606560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).