2-benzamido-4-(phenoxymethyl)benzoic acid

C21H17NO4 — CID 69330554

IUPAC2-benzamido-4-(phenoxymethyl)benzoic acid
SMILESO=C(Nc1cc(COc2ccccc2)ccc1C(=O)O)c1ccccc1
InChIInChI=1S/C21H17NO4/c23-20(16-7-3-1-4-8-16)22-19-13-15(11-12-18(19)21(24)25)14-26-17-9-5-2-6-10-17/h1-13H,14H2,(H,22,23)(H,24,25)
InChIKeyVAJFGPWYIVMSQZ-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.22
Rot. Bonds6

About 2-benzamido-4-(phenoxymethyl)benzoic acid

2-benzamido-4-(phenoxymethyl)benzoic acid (PubChem CID 69330554) has the molecular formula C21H17NO4 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-benzamido-4-(phenoxymethyl)benzoic acid.

Molecular Properties

Compound Name2-benzamido-4-(phenoxymethyl)benzoic acid
PubChem CID69330554
Molecular FormulaC21H17NO4
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Name2-benzamido-4-(phenoxymethyl)benzoic acid
SMILESO=C(Nc1cc(COc2ccccc2)ccc1C(=O)O)c1ccccc1
InChIInChI=1S/C21H17NO4/c23-20(16-7-3-1-4-8-16)22-19-13-15(11-12-18(19)21(24)25)14-26-17-9-5-2-6-10-17/h1-13H,14H2,(H,22,23)(H,24,25)
InChIKeyVAJFGPWYIVMSQZ-UHFFFAOYSA-N
XLogP4.22
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-4-[[4-(phenoxymethyl)benzoyl]amino]benzoic acid
CID 4896531
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
2-[[4-(phenoxymethyl)benzoyl]amino]benzamide
CID 924413
2-[[2-[4-[4-[(3-benzamidophenyl)methoxy]phenoxy]phenyl]acetyl]amino]benzoic acid
CID 22484939
2-bromo-4-(phenoxymethyl)benzoic acid
CID 117220284
2-benzamido-5-[(4-benzamido-3-carboxyphenyl)methyl]benzoic acid
CID 2261273
2-chloro-5-(phenoxymethyl)benzoic acid
CID 117221772
2-[(2-phenoxyacetyl)amino]-4-(2-phenylethyl)benzoic acid
CID 67342372
2-benzamido-4-(3-fluorophenoxy)benzoic acid
CID 67341850
N-(2,3-dimethylphenyl)-4-(phenoxymethyl)benzamide
CID 7946940
2-bromo-5-(phenoxymethyl)benzoic acid
CID 117221773
2-[(3-fluorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid
CID 67344319

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-4-(phenoxymethyl)benzoic acid?
The IUPAC name of 2-benzamido-4-(phenoxymethyl)benzoic acid (CID 69330554) is 2-benzamido-4-(phenoxymethyl)benzoic acid.
What is the SMILES notation for 2-benzamido-4-(phenoxymethyl)benzoic acid?
The canonical SMILES for 2-benzamido-4-(phenoxymethyl)benzoic acid is O=C(Nc1cc(COc2ccccc2)ccc1C(=O)O)c1ccccc1.
What is the InChIKey of 2-benzamido-4-(phenoxymethyl)benzoic acid?
The InChIKey is VAJFGPWYIVMSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4/c23-20(16-7-3-1-4-8-16)22-19-13-15(11-12-18(19)21(24)25)14-26-17-9-5-2-6-10-17/h1-13H,14H2,(H,22,23)(H,24,25).
What are the key properties of 2-benzamido-4-(phenoxymethyl)benzoic acid?
2-benzamido-4-(phenoxymethyl)benzoic acid has a molecular weight of 347.37 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-4-(phenoxymethyl)benzoic acid is sourced from PubChem (CID 69330554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).