2-carbamoyl-3-naphthalen-1-ylbenzoic acid

C18H13NO3 — CID 22568555

IUPAC2-carbamoyl-3-naphthalen-1-ylbenzoic acid
SMILESNC(=O)c1c(C(=O)O)cccc1-c1cccc2ccccc12
InChIInChI=1S/C18H13NO3/c19-17(20)16-14(9-4-10-15(16)18(21)22)13-8-3-6-11-5-1-2-7-12(11)13/h1-10H,(H2,19,20)(H,21,22)
InChIKeyWNSIXZWMXSTPGB-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.30
Rot. Bonds3

About 2-carbamoyl-3-naphthalen-1-ylbenzoic acid

2-carbamoyl-3-naphthalen-1-ylbenzoic acid (PubChem CID 22568555) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-carbamoyl-3-naphthalen-1-ylbenzoic acid.

Molecular Properties

Compound Name2-carbamoyl-3-naphthalen-1-ylbenzoic acid
PubChem CID22568555
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC Name2-carbamoyl-3-naphthalen-1-ylbenzoic acid
SMILESNC(=O)c1c(C(=O)O)cccc1-c1cccc2ccccc12
InChIInChI=1S/C18H13NO3/c19-17(20)16-14(9-4-10-15(16)18(21)22)13-8-3-6-11-5-1-2-7-12(11)13/h1-10H,(H2,19,20)(H,21,22)
InChIKeyWNSIXZWMXSTPGB-UHFFFAOYSA-N
XLogP3.30
TPSA80.39 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 ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-carbamoyl-3-naphthalen-1-ylbenzoic acid?
The IUPAC name of 2-carbamoyl-3-naphthalen-1-ylbenzoic acid (CID 22568555) is 2-carbamoyl-3-naphthalen-1-ylbenzoic acid.
What is the SMILES notation for 2-carbamoyl-3-naphthalen-1-ylbenzoic acid?
The canonical SMILES for 2-carbamoyl-3-naphthalen-1-ylbenzoic acid is NC(=O)c1c(C(=O)O)cccc1-c1cccc2ccccc12.
What is the InChIKey of 2-carbamoyl-3-naphthalen-1-ylbenzoic acid?
The InChIKey is WNSIXZWMXSTPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3/c19-17(20)16-14(9-4-10-15(16)18(21)22)13-8-3-6-11-5-1-2-7-12(11)13/h1-10H,(H2,19,20)(H,21,22).
What are the key properties of 2-carbamoyl-3-naphthalen-1-ylbenzoic acid?
2-carbamoyl-3-naphthalen-1-ylbenzoic acid has a molecular weight of 291.31 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyl-3-naphthalen-1-ylbenzoic acid is sourced from PubChem (CID 22568555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).