methyl 2-[4-[(2-phenylacetyl)amino]anilino]benzoate

C22H20N2O3 — CID 112988435

IUPACmethyl 2-[4-[(2-phenylacetyl)amino]anilino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C22H20N2O3/c1-27-22(26)19-9-5-6-10-20(19)23-17-11-13-18(14-12-17)24-21(25)15-16-7-3-2-4-8-16/h2-14,23H,15H2,1H3,(H,24,25)
InChIKeyKHROMBXTQPGOPI-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.40
Rot. Bonds6

About methyl 2-[4-[(2-phenylacetyl)amino]anilino]benzoate

methyl 2-[4-[(2-phenylacetyl)amino]anilino]benzoate (PubChem CID 112988435) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is methyl 2-[4-[(2-phenylacetyl)amino]anilino]benzoate.

Molecular Properties

Compound Namemethyl 2-[4-[(2-phenylacetyl)amino]anilino]benzoate
PubChem CID112988435
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Namemethyl 2-[4-[(2-phenylacetyl)amino]anilino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C22H20N2O3/c1-27-22(26)19-9-5-6-10-20(19)23-17-11-13-18(14-12-17)24-21(25)15-16-7-3-2-4-8-16/h2-14,23H,15H2,1H3,(H,24,25)
InChIKeyKHROMBXTQPGOPI-UHFFFAOYSA-N
XLogP4.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(butanoylamino)anilino]benzoate
CID 112988411
methyl 2-(4-acetamidoanilino)benzoate
CID 112988409
methyl 2-(4-benzamidoanilino)benzoate
CID 112988422
methyl 2-[4-(2-methylpropanoylamino)anilino]benzoate
CID 112988412
methyl 2-hydroxy-3-[(2-phenylacetyl)amino]benzoate
CID 108768071
ethane;methyl 2-(4-methylanilino)benzoate
CID 91139504
[2-(4-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 17423024
methyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate
CID 798726
N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383
ethane;2-(2-methoxycarbonylanilino)benzoic acid
CID 54418297
ethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 123587423
methyl 2-[4-(cyclohexanecarbonylamino)anilino]benzoate
CID 112988416

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2-phenylacetyl)amino]anilino]benzoate?
The IUPAC name of methyl 2-[4-[(2-phenylacetyl)amino]anilino]benzoate (CID 112988435) is methyl 2-[4-[(2-phenylacetyl)amino]anilino]benzoate.
What is the SMILES notation for methyl 2-[4-[(2-phenylacetyl)amino]anilino]benzoate?
The canonical SMILES for methyl 2-[4-[(2-phenylacetyl)amino]anilino]benzoate is COC(=O)c1ccccc1Nc1ccc(NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of methyl 2-[4-[(2-phenylacetyl)amino]anilino]benzoate?
The InChIKey is KHROMBXTQPGOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-27-22(26)19-9-5-6-10-20(19)23-17-11-13-18(14-12-17)24-21(25)15-16-7-3-2-4-8-16/h2-14,23H,15H2,1H3,(H,24,25).
What are the key properties of methyl 2-[4-[(2-phenylacetyl)amino]anilino]benzoate?
methyl 2-[4-[(2-phenylacetyl)amino]anilino]benzoate has a molecular weight of 360.41 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2-phenylacetyl)amino]anilino]benzoate is sourced from PubChem (CID 112988435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).