ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate

C23H20N2O4 — CID 109049277

IUPACethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H20N2O4/c1-2-29-23(28)19-10-6-7-11-20(19)25-22(27)17-14-12-16(13-15-17)21(26)24-18-8-4-3-5-9-18/h3-15H,2H2,1H3,(H,24,26)(H,25,27)
InChIKeyBZKQZWPQOHWFOA-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.37
Rot. Bonds6

About ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate

ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate (PubChem CID 109049277) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
PubChem CID109049277
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Nameethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H20N2O4/c1-2-29-23(28)19-10-6-7-11-20(19)25-22(27)17-14-12-16(13-15-17)21(26)24-18-8-4-3-5-9-18/h3-15H,2H2,1H3,(H,24,26)(H,25,27)
InChIKeyBZKQZWPQOHWFOA-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049254
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
ethyl 2-[[4-(2-methylpropylcarbamoyl)benzoyl]amino]benzoate
CID 109044011
2-[(4-methylbenzoyl)amino]-N-phenylbenzamide
CID 913419
ethyl 2-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoate
CID 110693143
ethyl 2-[(4-hexoxybenzoyl)amino]benzoate
CID 19170768
ethyl 2-[[4-(2-phenylsulfanylethoxy)benzoyl]amino]benzoate
CID 92675667
ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]benzoate
CID 108992396
ethyl 2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate
CID 4661420
ethyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate
CID 17492553
(4-carbamoylphenyl)methyl 2-benzamidobenzoate
CID 17410103

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate?
The IUPAC name of ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate (CID 109049277) is ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate?
The InChIKey is BZKQZWPQOHWFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-2-29-23(28)19-10-6-7-11-20(19)25-22(27)17-14-12-16(13-15-17)21(26)24-18-8-4-3-5-9-18/h3-15H,2H2,1H3,(H,24,26)(H,25,27).
What are the key properties of ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate?
ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate has a molecular weight of 388.42 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate is sourced from PubChem (CID 109049277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).