ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate

C22H20N2O3 — CID 108866989

IUPACethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H20N2O3/c1-2-27-21(25)18-10-14-20(15-11-18)24-22(26)23-19-12-8-17(9-13-19)16-6-4-3-5-7-16/h3-15H,2H2,1H3,(H2,23,24,26)
InChIKeyFBMPWUFOZAYZLB-UHFFFAOYSA-N
MW360.41 g/mol
LogP5.17
Rot. Bonds5

About ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate

ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate (PubChem CID 108866989) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate
PubChem CID108866989
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Nameethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H20N2O3/c1-2-27-21(25)18-10-14-20(15-11-18)24-22(26)23-19-12-8-17(9-13-19)16-6-4-3-5-7-16/h3-15H,2H2,1H3,(H2,23,24,26)
InChIKeyFBMPWUFOZAYZLB-UHFFFAOYSA-N
XLogP5.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.41
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
CID 69242497
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 4-(4-acetamidophenyl)benzoate
CID 134688952
ethyl 4-[(2-hydroxyphenyl)carbamoylamino]benzoate
CID 108871366
ethyl 4-(benzylcarbamoylamino)benzoate
CID 6457861
ethyl 4-azulen-2-ylbenzoate
CID 122206706
ethyl 4-[(3,5-dimethylphenyl)carbamoylamino]benzoate
CID 46859841
ethyl 4-[(2-benzoylphenyl)carbamoylamino]benzoate
CID 46859858
ethyl 4-[4-(N-[4-(4-ethoxycarbonylphenyl)phenyl]-4-phenylanilino)phenyl]benzoate
CID 14669998
ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate
CID 59266192
ethyl 4-[[4-(dimethylamino)phenyl]carbamoylamino]benzoate
CID 108894702
ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate
CID 46859843

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate?
The IUPAC name of ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate (CID 108866989) is ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate.
What is the SMILES notation for ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate?
The canonical SMILES for ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)Nc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate?
The InChIKey is FBMPWUFOZAYZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-2-27-21(25)18-10-14-20(15-11-18)24-22(26)23-19-12-8-17(9-13-19)16-6-4-3-5-7-16/h3-15H,2H2,1H3,(H2,23,24,26).
What are the key properties of ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate?
ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate has a molecular weight of 360.41 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate is sourced from PubChem (CID 108866989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).