[2-(4-carbamoylanilino)-2-oxoethyl] (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate

C25H22ClN3O5 — CID 2519734

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1
InChIInChI=1S/C25H22ClN3O5/c26-20-9-5-4-8-19(20)25(33)29-21(16-6-2-1-3-7-16)14-23(31)34-15-22(30)28-18-12-10-17(11-13-18)24(27)32/h1-13,21H,14-15H2,(H2,27,32)(H,28,30)(H,29,33)/t21-/m1/s1
InChIKeyVXENPBZYXBJJJF-OAQYLSRUSA-N
MW479.92 g/mol
LogP3.48
Rot. Bonds9

About [2-(4-carbamoylanilino)-2-oxoethyl] (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate

[2-(4-carbamoylanilino)-2-oxoethyl] (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate (PubChem CID 2519734) has the molecular formula C25H22ClN3O5 and a molecular weight of 479.92 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
PubChem CID2519734
Molecular FormulaC25H22ClN3O5
Molecular Weight479.92 g/mol
Exact Mass479.12
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1
InChIInChI=1S/C25H22ClN3O5/c26-20-9-5-4-8-19(20)25(33)29-21(16-6-2-1-3-7-16)14-23(31)34-15-22(30)28-18-12-10-17(11-13-18)24(27)32/h1-13,21H,14-15H2,(H2,27,32)(H,28,30)(H,29,33)/t21-/m1/s1
InChIKeyVXENPBZYXBJJJF-OAQYLSRUSA-N
XLogP3.48
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.92
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-(4-carbamoylanilino)-2-oxoethyl] (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate with MolForge

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Related Compounds

[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 92535437
[2-(3-fluoroanilino)-2-oxoethyl] (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 2364120
[2-oxo-2-(1-phenylethylamino)ethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 55306218
methyl 4-[[2-[(3R)-3-benzamido-3-phenylpropanoyl]oxyacetyl]amino]benzoate
CID 29170764
[2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 35575333
benzyl (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 7198296
2-chloro-N-[(1R)-3-oxo-1-phenyl-3-(4-phenylmethoxyanilino)propyl]benzamide
CID 2087143
cyanomethyl 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 42967927
2-chloro-N-[3-oxo-1-phenyl-3-[4-(thiadiazol-4-yl)anilino]propyl]benzamide
CID 55985453
[2-(butylcarbamoylamino)-2-oxoethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 55418410
[2-(3-chloro-4-methylanilino)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132866
[2-oxo-2-(4-phenylanilino)ethyl] 3-acetamido-3-phenylpropanoate
CID 5180670

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate (CID 2519734) is [2-(4-carbamoylanilino)-2-oxoethyl] (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate is NC(=O)c1ccc(NC(=O)COC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate?
The InChIKey is VXENPBZYXBJJJF-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H22ClN3O5/c26-20-9-5-4-8-19(20)25(33)29-21(16-6-2-1-3-7-16)14-23(31)34-15-22(30)28-18-12-10-17(11-13-18)24(27)32/h1-13,21H,14-15H2,(H2,27,32)(H,28,30)(H,29,33)/t21-/m1/s1.
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate?
[2-(4-carbamoylanilino)-2-oxoethyl] (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate has a molecular weight of 479.92 g/mol, XLogP of 3.48, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 2519734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).