4-carbamoylbenzoic acid

C8H7NO3 — CID 506057

IUPAC4-carbamoylbenzoic acid
SMILESNC(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C8H7NO3/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H2,9,10)(H,11,12)
InChIKeyJMHSCWJIDIKGNZ-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.48
Rot. Bonds2

About 4-carbamoylbenzoic acid

4-carbamoylbenzoic acid (PubChem CID 506057) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is 4-carbamoylbenzoic acid.

Molecular Properties

Compound Name4-carbamoylbenzoic acid
PubChem CID506057
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Name4-carbamoylbenzoic acid
SMILESNC(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C8H7NO3/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H2,9,10)(H,11,12)
InChIKeyJMHSCWJIDIKGNZ-UHFFFAOYSA-N
XLogP0.48
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-carbamoylbenzoic acid?
The IUPAC name of 4-carbamoylbenzoic acid (CID 506057) is 4-carbamoylbenzoic acid.
What is the SMILES notation for 4-carbamoylbenzoic acid?
The canonical SMILES for 4-carbamoylbenzoic acid is NC(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-carbamoylbenzoic acid?
The InChIKey is JMHSCWJIDIKGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H2,9,10)(H,11,12).
What are the key properties of 4-carbamoylbenzoic acid?
4-carbamoylbenzoic acid has a molecular weight of 165.15 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamoylbenzoic acid is sourced from PubChem (CID 506057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).