4-(4-carbamoylphenoxy)benzoic acid

C14H11NO4 — CID 28825295

IUPAC4-(4-carbamoylphenoxy)benzoic acid
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C14H11NO4/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H2,15,16)(H,17,18)
InChIKeyFIHJPVBFFYAION-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.28
Rot. Bonds4

About 4-(4-carbamoylphenoxy)benzoic acid

4-(4-carbamoylphenoxy)benzoic acid (PubChem CID 28825295) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-(4-carbamoylphenoxy)benzoic acid.

Molecular Properties

Compound Name4-(4-carbamoylphenoxy)benzoic acid
PubChem CID28825295
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name4-(4-carbamoylphenoxy)benzoic acid
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C14H11NO4/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H2,15,16)(H,17,18)
InChIKeyFIHJPVBFFYAION-UHFFFAOYSA-N
XLogP2.28
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Phenoxybenzoic acid
CID 75182
1,3-Bis(4-carboxyphenoxy)propane
CID 68610
Phenylparaben
CID 87250
p-Ethoxybenzamide
CID 108776
Benzoic acid, 4-(acetyloxy)-
CID 16865
4-(Benzyloxy)benzoic acid
CID 73880
4-(2-Phenoxyethoxy)benzoic acid
CID 274547
4,4'-(1,2-Ethanediylbis(oxy))bisbenzoic acid
CID 77358
4,4'-Oxybis(benzoic acid)
CID 75183
4-(4-Carbamoylphenoxy)benzamide
CID 236501
4-[(2-Fluorophenyl)methoxy]benzamide
CID 8607850
4-(Cyclobutylmethoxy)benzamide
CID 67115989

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbamoylphenoxy)benzoic acid?
The IUPAC name of 4-(4-carbamoylphenoxy)benzoic acid (CID 28825295) is 4-(4-carbamoylphenoxy)benzoic acid.
What is the SMILES notation for 4-(4-carbamoylphenoxy)benzoic acid?
The canonical SMILES for 4-(4-carbamoylphenoxy)benzoic acid is NC(=O)c1ccc(Oc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-(4-carbamoylphenoxy)benzoic acid?
The InChIKey is FIHJPVBFFYAION-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H2,15,16)(H,17,18).
What are the key properties of 4-(4-carbamoylphenoxy)benzoic acid?
4-(4-carbamoylphenoxy)benzoic acid has a molecular weight of 257.25 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbamoylphenoxy)benzoic acid is sourced from PubChem (CID 28825295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).