(111C)methyl 2-[(N-acetyl-2-phenoxyanilino)methyl]benzoate

C23H21NO4 — CID 11624963

IUPAC(111C)methyl 2-[(N-acetyl-2-phenoxyanilino)methyl]benzoate
SMILESCC(=O)N(Cc1ccccc1C(=O)O[11CH3])c1ccccc1Oc1ccccc1
InChIInChI=1S/C23H21NO4/c1-17(25)24(16-18-10-6-7-13-20(18)23(26)27-2)21-14-8-9-15-22(21)28-19-11-4-3-5-12-19/h3-15H,16H2,1-2H3/i2-1
InChIKeyGZMKOLSSUBETKL-JVVVGQRLSA-N
MW374.42 g/mol
LogP4.82
Rot. Bonds6

About (111C)methyl 2-[(N-acetyl-2-phenoxyanilino)methyl]benzoate

(111C)methyl 2-[(N-acetyl-2-phenoxyanilino)methyl]benzoate (PubChem CID 11624963) has the molecular formula C23H21NO4 and a molecular weight of 374.42 g/mol. Its IUPAC name is (111C)methyl 2-[(N-acetyl-2-phenoxyanilino)methyl]benzoate.

Molecular Properties

Compound Name(111C)methyl 2-[(N-acetyl-2-phenoxyanilino)methyl]benzoate
PubChem CID11624963
Molecular FormulaC23H21NO4
Molecular Weight374.42 g/mol
Exact Mass374.16
IUPAC Name(111C)methyl 2-[(N-acetyl-2-phenoxyanilino)methyl]benzoate
SMILESCC(=O)N(Cc1ccccc1C(=O)O[11CH3])c1ccccc1Oc1ccccc1
InChIInChI=1S/C23H21NO4/c1-17(25)24(16-18-10-6-7-13-20(18)23(26)27-2)21-14-8-9-15-22(21)28-19-11-4-3-5-12-19/h3-15H,16H2,1-2H3/i2-1
InChIKeyGZMKOLSSUBETKL-JVVVGQRLSA-N
XLogP4.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-N-(2-phenoxyphenyl)acetamide
CID 71198512
N-(2-phenoxyphenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 18407202
1-[(2-methoxyphenyl)methyl]-1-(2-phenoxyphenyl)urea
CID 18407217
2-(N-acetyl-2-phenoxyanilino)-N-phenylacetamide
CID 113179233
2-(N-acetyl-2-phenoxyanilino)-N-tert-butylacetamide
CID 113179224
2-(N-acetyl-2-phenoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113179217
N-[2-(N-acetyl-2-phenoxyanilino)ethyl]benzamide
CID 113063434
N-[[2-(fluoromethyl)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide
CID 22556111
N-(5-amino-2-phenoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 71470709
methyl 2-[(2-phenoxyphenyl)carbamoylamino]benzoate
CID 108992330
N-[[2-[(1-acetylpiperidin-4-yl)amino]phenyl]methyl]-N-[2-(4-hydroxyphenoxy)phenyl]acetamide
CID 143808579
2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid
CID 70197769

Frequently Asked Questions

What is the IUPAC name of (111C)methyl 2-[(N-acetyl-2-phenoxyanilino)methyl]benzoate?
The IUPAC name of (111C)methyl 2-[(N-acetyl-2-phenoxyanilino)methyl]benzoate (CID 11624963) is (111C)methyl 2-[(N-acetyl-2-phenoxyanilino)methyl]benzoate.
What is the SMILES notation for (111C)methyl 2-[(N-acetyl-2-phenoxyanilino)methyl]benzoate?
The canonical SMILES for (111C)methyl 2-[(N-acetyl-2-phenoxyanilino)methyl]benzoate is CC(=O)N(Cc1ccccc1C(=O)O[11CH3])c1ccccc1Oc1ccccc1.
What is the InChIKey of (111C)methyl 2-[(N-acetyl-2-phenoxyanilino)methyl]benzoate?
The InChIKey is GZMKOLSSUBETKL-JVVVGQRLSA-N. The full InChI is InChI=1S/C23H21NO4/c1-17(25)24(16-18-10-6-7-13-20(18)23(26)27-2)21-14-8-9-15-22(21)28-19-11-4-3-5-12-19/h3-15H,16H2,1-2H3/i2-1.
What are the key properties of (111C)methyl 2-[(N-acetyl-2-phenoxyanilino)methyl]benzoate?
(111C)methyl 2-[(N-acetyl-2-phenoxyanilino)methyl]benzoate has a molecular weight of 374.42 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (111C)methyl 2-[(N-acetyl-2-phenoxyanilino)methyl]benzoate is sourced from PubChem (CID 11624963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).