[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate

C25H22ClN3O5 — CID 41080941

IUPAC[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
SMILESC[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C25H22ClN3O5/c1-16(27-23(31)18-11-5-7-13-20(18)26)25(33)34-15-22(30)29-21-14-8-6-12-19(21)24(32)28-17-9-3-2-4-10-17/h2-14,16H,15H2,1H3,(H,27,31)(H,28,32)(H,29,30)/t16-/m0/s1
InChIKeyWGITWTAOIJJYLY-INIZCTEOSA-N
MW479.92 g/mol
LogP3.89
Rot. Bonds8

About [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate

[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate (PubChem CID 41080941) has the molecular formula C25H22ClN3O5 and a molecular weight of 479.92 g/mol. Its IUPAC name is [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate.

Molecular Properties

Compound Name[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
PubChem CID41080941
Molecular FormulaC25H22ClN3O5
Molecular Weight479.92 g/mol
Exact Mass479.12
IUPAC Name[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
SMILESC[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C25H22ClN3O5/c1-16(27-23(31)18-11-5-7-13-20(18)26)25(33)34-15-22(30)29-21-14-8-6-12-19(21)24(32)28-17-9-3-2-4-10-17/h2-14,16H,15H2,1H3,(H,27,31)(H,28,32)(H,29,30)/t16-/m0/s1
InChIKeyWGITWTAOIJJYLY-INIZCTEOSA-N
XLogP3.89
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.92
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-chloroanilino)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570560
[2-(4-methoxyanilino)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 55925743
[2-(4-methylsulfanylanilino)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 55925854
[2-(2-carbamoylanilino)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
CID 7563374
[2-(2,5-difluoroanilino)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570685
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 55925646
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (3S)-3-phenylbutanoate
CID 7265956
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570855
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570853
[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoethyl] propanoate
CID 9015149
[2-(2-acetylanilino)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate
CID 8882338
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]propanoate
CID 42898503

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate?
The IUPAC name of [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate (CID 41080941) is [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate.
What is the SMILES notation for [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate?
The canonical SMILES for [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate is C[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)Nc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate?
The InChIKey is WGITWTAOIJJYLY-INIZCTEOSA-N. The full InChI is InChI=1S/C25H22ClN3O5/c1-16(27-23(31)18-11-5-7-13-20(18)26)25(33)34-15-22(30)29-21-14-8-6-12-19(21)24(32)28-17-9-3-2-4-10-17/h2-14,16H,15H2,1H3,(H,27,31)(H,28,32)(H,29,30)/t16-/m0/s1.
What are the key properties of [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate?
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate has a molecular weight of 479.92 g/mol, XLogP of 3.89, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate is sourced from PubChem (CID 41080941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).