ethyl 4-[(2-benzoylphenyl)carbamoylamino]benzoate

C23H20N2O4 — CID 46859858

IUPACethyl 4-[(2-benzoylphenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H20N2O4/c1-2-29-22(27)17-12-14-18(15-13-17)24-23(28)25-20-11-7-6-10-19(20)21(26)16-8-4-3-5-9-16/h3-15H,2H2,1H3,(H2,24,25,28)
InChIKeyGTLROYUQKSDSMG-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.74
Rot. Bonds6

About ethyl 4-[(2-benzoylphenyl)carbamoylamino]benzoate

ethyl 4-[(2-benzoylphenyl)carbamoylamino]benzoate (PubChem CID 46859858) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is ethyl 4-[(2-benzoylphenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-benzoylphenyl)carbamoylamino]benzoate
PubChem CID46859858
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Nameethyl 4-[(2-benzoylphenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H20N2O4/c1-2-29-22(27)17-12-14-18(15-13-17)24-23(28)25-20-11-7-6-10-19(20)21(26)16-8-4-3-5-9-16/h3-15H,2H2,1H3,(H2,24,25,28)
InChIKeyGTLROYUQKSDSMG-UHFFFAOYSA-N
XLogP4.74
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]benzoate
CID 108992396
ethyl 4-[(2-hydroxyphenyl)carbamoylamino]benzoate
CID 108871366
ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate
CID 108866989
ethyl 4-[(2-propan-2-ylphenyl)carbamoylamino]benzoate
CID 108991621
4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
CID 69242497
ethyl 2-[(4-chlorophenyl)carbamoylamino]benzoate
CID 787988
methyl 2-[[2-(4-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108500027
ethyl 2-[(4-ethoxyphenyl)carbamoylamino]benzoate
CID 108874271
[2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate
CID 7695978
ethyl 4-[[(2R)-2-[(2-benzamidobenzoyl)amino]-3-methylbutanoyl]amino]benzoate
CID 41190715
ethyl 4-(benzylcarbamoylamino)benzoate
CID 6457861
ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049277

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-benzoylphenyl)carbamoylamino]benzoate?
The IUPAC name of ethyl 4-[(2-benzoylphenyl)carbamoylamino]benzoate (CID 46859858) is ethyl 4-[(2-benzoylphenyl)carbamoylamino]benzoate.
What is the SMILES notation for ethyl 4-[(2-benzoylphenyl)carbamoylamino]benzoate?
The canonical SMILES for ethyl 4-[(2-benzoylphenyl)carbamoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1.
What is the InChIKey of ethyl 4-[(2-benzoylphenyl)carbamoylamino]benzoate?
The InChIKey is GTLROYUQKSDSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-2-29-22(27)17-12-14-18(15-13-17)24-23(28)25-20-11-7-6-10-19(20)21(26)16-8-4-3-5-9-16/h3-15H,2H2,1H3,(H2,24,25,28).
What are the key properties of ethyl 4-[(2-benzoylphenyl)carbamoylamino]benzoate?
ethyl 4-[(2-benzoylphenyl)carbamoylamino]benzoate has a molecular weight of 388.42 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-benzoylphenyl)carbamoylamino]benzoate is sourced from PubChem (CID 46859858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).