3-[(2-carbamoylphenoxy)methyl]benzoic acid

C15H13NO4 — CID 24691110

IUPAC3-[(2-carbamoylphenoxy)methyl]benzoic acid
SMILESNC(=O)c1ccccc1OCc1cccc(C(=O)O)c1
InChIInChI=1S/C15H13NO4/c16-14(17)12-6-1-2-7-13(12)20-9-10-4-3-5-11(8-10)15(18)19/h1-8H,9H2,(H2,16,17)(H,18,19)
InChIKeyQAGZWYKACUOXOW-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.06
Rot. Bonds5

About 3-[(2-carbamoylphenoxy)methyl]benzoic acid

3-[(2-carbamoylphenoxy)methyl]benzoic acid (PubChem CID 24691110) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 3-[(2-carbamoylphenoxy)methyl]benzoic acid.

Molecular Properties

Compound Name3-[(2-carbamoylphenoxy)methyl]benzoic acid
PubChem CID24691110
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name3-[(2-carbamoylphenoxy)methyl]benzoic acid
SMILESNC(=O)c1ccccc1OCc1cccc(C(=O)O)c1
InChIInChI=1S/C15H13NO4/c16-14(17)12-6-1-2-7-13(12)20-9-10-4-3-5-11(8-10)15(18)19/h1-8H,9H2,(H2,16,17)(H,18,19)
InChIKeyQAGZWYKACUOXOW-UHFFFAOYSA-N
XLogP2.06
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-phenylmethoxyphenyl)methoxy]benzamide
CID 60603891
3-[(2-methoxyphenoxy)methyl]benzoic acid
CID 890775
2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398
2-[[3-[(2-carbamoylphenoxy)methyl]benzoyl]-cyclopropylamino]acetic acid
CID 119195397
1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-2-carboxylic acid
CID 154750488
3-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987653
1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-3-carboxylic acid
CID 119167810
2-[[3-(4-methylpentan-2-ylcarbamoyl)phenyl]methoxy]benzamide
CID 11696081
3-[(2-cyanophenoxy)methyl]benzoic acid
CID 24708246
3-[(3-carbamoylphenoxy)methyl]benzoic acid
CID 24710779
2-[[3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]phenyl]methoxy]benzamide
CID 124573502
2-[(4-phenylphenyl)methoxy]benzamide
CID 8011325

Frequently Asked Questions

What is the IUPAC name of 3-[(2-carbamoylphenoxy)methyl]benzoic acid?
The IUPAC name of 3-[(2-carbamoylphenoxy)methyl]benzoic acid (CID 24691110) is 3-[(2-carbamoylphenoxy)methyl]benzoic acid.
What is the SMILES notation for 3-[(2-carbamoylphenoxy)methyl]benzoic acid?
The canonical SMILES for 3-[(2-carbamoylphenoxy)methyl]benzoic acid is NC(=O)c1ccccc1OCc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(2-carbamoylphenoxy)methyl]benzoic acid?
The InChIKey is QAGZWYKACUOXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c16-14(17)12-6-1-2-7-13(12)20-9-10-4-3-5-11(8-10)15(18)19/h1-8H,9H2,(H2,16,17)(H,18,19).
What are the key properties of 3-[(2-carbamoylphenoxy)methyl]benzoic acid?
3-[(2-carbamoylphenoxy)methyl]benzoic acid has a molecular weight of 271.27 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-carbamoylphenoxy)methyl]benzoic acid is sourced from PubChem (CID 24691110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).