methyl 3-[2-[(2-phenylacetyl)amino]phenyl]benzoate

C22H19NO3 — CID 10831365

IUPACmethyl 3-[2-[(2-phenylacetyl)amino]phenyl]benzoate
SMILESCOC(=O)c1cccc(-c2ccccc2NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C22H19NO3/c1-26-22(25)18-11-7-10-17(15-18)19-12-5-6-13-20(19)23-21(24)14-16-8-3-2-4-9-16/h2-13,15H,14H2,1H3,(H,23,24)
InChIKeyGWOYQSVHYCJHDG-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.32
Rot. Bonds5

About methyl 3-[2-[(2-phenylacetyl)amino]phenyl]benzoate

methyl 3-[2-[(2-phenylacetyl)amino]phenyl]benzoate (PubChem CID 10831365) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is methyl 3-[2-[(2-phenylacetyl)amino]phenyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[2-[(2-phenylacetyl)amino]phenyl]benzoate
PubChem CID10831365
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Namemethyl 3-[2-[(2-phenylacetyl)amino]phenyl]benzoate
SMILESCOC(=O)c1cccc(-c2ccccc2NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C22H19NO3/c1-26-22(25)18-11-7-10-17(15-18)19-12-5-6-13-20(19)23-21(24)14-16-8-3-2-4-9-16/h2-13,15H,14H2,1H3,(H,23,24)
InChIKeyGWOYQSVHYCJHDG-UHFFFAOYSA-N
XLogP4.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate
CID 956278
dimethyl benzene-1,3-dicarboxylate;1-phenylpropan-2-one
CID 174735167
dimethyl 5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylate
CID 668857
2-(3-methoxy-4-methylphenyl)-N-(2-phenylphenyl)acetamide
CID 17476881
methyl 2-hydroxy-3-[(2-phenylacetyl)amino]benzoate
CID 108768071
(E)-3-[2-(3-methoxycarbonylphenyl)phenyl]prop-2-enoic acid
CID 170872377
[2-oxo-2-(2-phenylanilino)ethyl] 3-phenoxybenzoate
CID 16521982
2-(3-methoxycarbonylphenyl)-6-methylbenzoic acid
CID 53227079
methyl 3-(2-ethynylphenyl)benzoate
CID 175646821
2-(2,5-dimethoxyphenyl)-N-(2-phenylphenyl)acetamide
CID 78804018
2-[3-(2-methoxycarbonylphenyl)phenyl]acetic acid
CID 70011966
2-methoxy-3-(3-methoxycarbonylphenyl)benzoic acid
CID 53227096

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[(2-phenylacetyl)amino]phenyl]benzoate?
The IUPAC name of methyl 3-[2-[(2-phenylacetyl)amino]phenyl]benzoate (CID 10831365) is methyl 3-[2-[(2-phenylacetyl)amino]phenyl]benzoate.
What is the SMILES notation for methyl 3-[2-[(2-phenylacetyl)amino]phenyl]benzoate?
The canonical SMILES for methyl 3-[2-[(2-phenylacetyl)amino]phenyl]benzoate is COC(=O)c1cccc(-c2ccccc2NC(=O)Cc2ccccc2)c1.
What is the InChIKey of methyl 3-[2-[(2-phenylacetyl)amino]phenyl]benzoate?
The InChIKey is GWOYQSVHYCJHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-26-22(25)18-11-7-10-17(15-18)19-12-5-6-13-20(19)23-21(24)14-16-8-3-2-4-9-16/h2-13,15H,14H2,1H3,(H,23,24).
What are the key properties of methyl 3-[2-[(2-phenylacetyl)amino]phenyl]benzoate?
methyl 3-[2-[(2-phenylacetyl)amino]phenyl]benzoate has a molecular weight of 345.40 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[(2-phenylacetyl)amino]phenyl]benzoate is sourced from PubChem (CID 10831365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).