[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate

C27H25ClN2O5 — CID 2436111

IUPAC[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate
SMILESCC(C)[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C27H25ClN2O5/c1-17(2)24(30-26(33)19-11-7-4-8-12-19)27(34)35-16-23(31)29-22-14-13-20(28)15-21(22)25(32)18-9-5-3-6-10-18/h3-15,17,24H,16H2,1-2H3,(H,29,31)(H,30,33)/t24-/m1/s1
InChIKeyWMOYEJFSCKXXHC-XMMPIXPASA-N
MW492.96 g/mol
LogP4.51
Rot. Bonds9

About [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate

[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate (PubChem CID 2436111) has the molecular formula C27H25ClN2O5 and a molecular weight of 492.96 g/mol. Its IUPAC name is [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate.

Molecular Properties

Compound Name[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate
PubChem CID2436111
Molecular FormulaC27H25ClN2O5
Molecular Weight492.96 g/mol
Exact Mass492.15
IUPAC Name[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate
SMILESCC(C)[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C27H25ClN2O5/c1-17(2)24(30-26(33)19-11-7-4-8-12-19)27(34)35-16-23(31)29-22-14-13-20(28)15-21(22)25(32)18-9-5-3-6-10-18/h3-15,17,24H,16H2,1-2H3,(H,29,31)(H,30,33)/t24-/m1/s1
InChIKeyWMOYEJFSCKXXHC-XMMPIXPASA-N
XLogP4.51
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.96
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate with MolForge

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Related Compounds

[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782592
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]propanoate
CID 4260264
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2582612
[2-(2-chloro-4-nitroanilino)-2-oxoethyl] 2-benzamido-3-methylbutanoate
CID 55315691
trans-[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8020642
[2-(2-acetylanilino)-2-oxoethyl] (2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
CID 9491985
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 3544695
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 7573235
[2-(2,5-dichloroanilino)-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 55928290
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
[2-(3,5-dimethoxyanilino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2583030
[2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamido-3-methylbutanoate
CID 4148507

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate?
The IUPAC name of [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate (CID 2436111) is [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate.
What is the SMILES notation for [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate?
The canonical SMILES for [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate is CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate?
The InChIKey is WMOYEJFSCKXXHC-XMMPIXPASA-N. The full InChI is InChI=1S/C27H25ClN2O5/c1-17(2)24(30-26(33)19-11-7-4-8-12-19)27(34)35-16-23(31)29-22-14-13-20(28)15-21(22)25(32)18-9-5-3-6-10-18/h3-15,17,24H,16H2,1-2H3,(H,29,31)(H,30,33)/t24-/m1/s1.
What are the key properties of [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate?
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate has a molecular weight of 492.96 g/mol, XLogP of 4.51, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate is sourced from PubChem (CID 2436111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).