methyl 2-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate

C26H25ClN2O4 — CID 4807327

IUPACmethyl 2-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)CC(NC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C26H25ClN2O4/c1-33-26(32)23(16-18-10-4-2-5-11-18)28-24(30)17-22(19-12-6-3-7-13-19)29-25(31)20-14-8-9-15-21(20)27/h2-15,22-23H,16-17H2,1H3,(H,28,30)(H,29,31)
InChIKeyWGNIHFWXLCMSFD-UHFFFAOYSA-N
MW464.95 g/mol
LogP4.10
Rot. Bonds9

About methyl 2-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate

methyl 2-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate (PubChem CID 4807327) has the molecular formula C26H25ClN2O4 and a molecular weight of 464.95 g/mol. Its IUPAC name is methyl 2-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate
PubChem CID4807327
Molecular FormulaC26H25ClN2O4
Molecular Weight464.95 g/mol
Exact Mass464.15
IUPAC Namemethyl 2-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)CC(NC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C26H25ClN2O4/c1-33-26(32)23(16-18-10-4-2-5-11-18)28-24(30)17-22(19-12-6-3-7-13-19)29-25(31)20-14-8-9-15-21(20)27/h2-15,22-23H,16-17H2,1H3,(H,28,30)(H,29,31)
InChIKeyWGNIHFWXLCMSFD-UHFFFAOYSA-N
XLogP4.10
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.95
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate with MolForge

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Related Compounds

Npc171139
CID 9832120
Asperphenamate
CID 173952
Aurantiamide Acetate
CID 10026486
N-benzoyl-phenylalanine methyl ester
CID 569674
Glycine, N-(2-chlorobenzoyl)-, methyl ester
CID 531380
2-(2-Chlorophenyl)-2-oxoethyl (benzoylamino)acetate
CID 1615618
[2-(Cyclopentylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate
CID 2407437
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 16240695
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 16243298
N-[(2,6-dichlorophenyl)carbonyl]-4-(1,4-dimethyl-2-oxo-3-pyridinyl)-L-phenylalanine
CID 10139365
N-[(2-chloro-6-methylphenyl)carbonyl]-4-(1-methyl-2-oxo-3-pyridinyl)-L-phenylalanine
CID 10273950
(S)-2-(2-Chloro-benzoylamino)-3-{2''-[(3-methyl-butylamino)-methyl]-biphenyl-4-yl}-propionic acid
CID 44330548

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl 2-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate (CID 4807327) is methyl 2-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl 2-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)NC(=O)CC(NC(=O)c1ccccc1Cl)c1ccccc1.
What is the InChIKey of methyl 2-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate?
The InChIKey is WGNIHFWXLCMSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O4/c1-33-26(32)23(16-18-10-4-2-5-11-18)28-24(30)17-22(19-12-6-3-7-13-19)29-25(31)20-14-8-9-15-21(20)27/h2-15,22-23H,16-17H2,1H3,(H,28,30)(H,29,31).
What are the key properties of methyl 2-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate?
methyl 2-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate has a molecular weight of 464.95 g/mol, XLogP of 4.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 4807327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).