4-[(3-acetamidophenoxy)methyl]benzoic acid

C16H15NO4 — CID 28829525

IUPAC4-[(3-acetamidophenoxy)methyl]benzoic acid
SMILESCC(=O)Nc1cccc(OCc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C16H15NO4/c1-11(18)17-14-3-2-4-15(9-14)21-10-12-5-7-13(8-6-12)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyBRNLCCMBULBTBE-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.92
Rot. Bonds5

About 4-[(3-acetamidophenoxy)methyl]benzoic acid

4-[(3-acetamidophenoxy)methyl]benzoic acid (PubChem CID 28829525) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-[(3-acetamidophenoxy)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(3-acetamidophenoxy)methyl]benzoic acid
PubChem CID28829525
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name4-[(3-acetamidophenoxy)methyl]benzoic acid
SMILESCC(=O)Nc1cccc(OCc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C16H15NO4/c1-11(18)17-14-3-2-4-15(9-14)21-10-12-5-7-13(8-6-12)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyBRNLCCMBULBTBE-UHFFFAOYSA-N
XLogP2.92
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-[(2,6-difluorobenzoyl)amino]phenoxy]methyl]benzoic acid
CID 141120818
(3-acetamidophenyl) 4-[(3-methylphenoxy)methyl]benzoate
CID 3985890
1-[4-(3-phenylmethoxyanilino)phenyl]ethanone
CID 174285774
N-[3-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]benzamide
CID 110006010
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
N-hydroxy-4-[[3-[(4-methoxybenzoyl)amino]phenoxy]methyl]benzamide
CID 153407823
3-[[4-[(4-fluorophenyl)methoxy]benzoyl]amino]benzoic acid
CID 139501079
ethane;4-(phenoxymethyl)benzoic acid;propane
CID 144638943
3-[[4-[(3-carboxyphenoxy)methyl]phenyl]methylamino]benzoic acid
CID 118636142
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
N-[3-[[5-(hydrazinecarbonyl)furan-2-yl]methoxy]phenyl]acetamide
CID 63574857
N-(3-phenylmethoxyphenyl)-4-propoxybenzamide
CID 17086082

Frequently Asked Questions

What is the IUPAC name of 4-[(3-acetamidophenoxy)methyl]benzoic acid?
The IUPAC name of 4-[(3-acetamidophenoxy)methyl]benzoic acid (CID 28829525) is 4-[(3-acetamidophenoxy)methyl]benzoic acid.
What is the SMILES notation for 4-[(3-acetamidophenoxy)methyl]benzoic acid?
The canonical SMILES for 4-[(3-acetamidophenoxy)methyl]benzoic acid is CC(=O)Nc1cccc(OCc2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-[(3-acetamidophenoxy)methyl]benzoic acid?
The InChIKey is BRNLCCMBULBTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-11(18)17-14-3-2-4-15(9-14)21-10-12-5-7-13(8-6-12)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-[(3-acetamidophenoxy)methyl]benzoic acid?
4-[(3-acetamidophenoxy)methyl]benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-acetamidophenoxy)methyl]benzoic acid is sourced from PubChem (CID 28829525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).