(2-benzamido-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]benzoate

C23H17ClN2O5 — CID 30221163

IUPAC(2-benzamido-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]benzoate
SMILESO=C(COC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C23H17ClN2O5/c24-17-12-10-16(11-13-17)21(28)25-19-9-5-4-8-18(19)23(30)31-14-20(27)26-22(29)15-6-2-1-3-7-15/h1-13H,14H2,(H,25,28)(H,26,27,29)
InChIKeyFKQOKMGDQPURRE-UHFFFAOYSA-N
MW436.85 g/mol
LogP3.71
Rot. Bonds6

About (2-benzamido-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]benzoate

(2-benzamido-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]benzoate (PubChem CID 30221163) has the molecular formula C23H17ClN2O5 and a molecular weight of 436.85 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]benzoate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]benzoate
PubChem CID30221163
Molecular FormulaC23H17ClN2O5
Molecular Weight436.85 g/mol
Exact Mass436.08
IUPAC Name(2-benzamido-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]benzoate
SMILESO=C(COC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C23H17ClN2O5/c24-17-12-10-16(11-13-17)21(28)25-19-9-5-4-8-18(19)23(30)31-14-20(27)26-22(29)15-6-2-1-3-7-15/h1-13H,14H2,(H,25,28)(H,26,27,29)
InChIKeyFKQOKMGDQPURRE-UHFFFAOYSA-N
XLogP3.71
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.85
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-chlorobenzoyl)amino]benzoate
CID 8537822
(2-benzamido-2-oxoethyl) 2-chlorobenzoate
CID 2624247
[2-(2-methylpropylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]benzoate
CID 30221116
[2-(2-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 4576263
phenacyl 4-chloro-2-[(4-chlorobenzoyl)amino]benzoate
CID 2725420
methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate
CID 2629462
(2-benzamido-2-oxoethyl) 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42445765
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidobenzoate
CID 2662915
[2-(3-methylanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 3493766
[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-chlorobenzoate
CID 9067593
(4-carbamoylphenyl)methyl 2-benzamidobenzoate
CID 17410103
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methoxybenzoate
CID 2640368

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]benzoate?
The IUPAC name of (2-benzamido-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]benzoate (CID 30221163) is (2-benzamido-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]benzoate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]benzoate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]benzoate is O=C(COC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)NC(=O)c1ccccc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]benzoate?
The InChIKey is FKQOKMGDQPURRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O5/c24-17-12-10-16(11-13-17)21(28)25-19-9-5-4-8-18(19)23(30)31-14-20(27)26-22(29)15-6-2-1-3-7-15/h1-13H,14H2,(H,25,28)(H,26,27,29).
What are the key properties of (2-benzamido-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]benzoate?
(2-benzamido-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]benzoate has a molecular weight of 436.85 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]benzoate is sourced from PubChem (CID 30221163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).