(4-propan-2-ylphenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate

C21H22Cl2N2O4 — CID 22830639

IUPAC(4-propan-2-ylphenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
SMILESCC(C)c1ccc(COC(=O)CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C21H22Cl2N2O4/c1-13(2)15-5-3-14(4-6-15)12-29-20(27)11-24-19(26)10-25-21(28)17-8-7-16(22)9-18(17)23/h3-9,13H,10-12H2,1-2H3,(H,24,26)(H,25,28)
InChIKeyWALCWQZDGGDIMM-UHFFFAOYSA-N
MW437.32 g/mol
LogP3.71
Rot. Bonds8

About (4-propan-2-ylphenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate

(4-propan-2-ylphenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate (PubChem CID 22830639) has the molecular formula C21H22Cl2N2O4 and a molecular weight of 437.32 g/mol. Its IUPAC name is (4-propan-2-ylphenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Name(4-propan-2-ylphenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
PubChem CID22830639
Molecular FormulaC21H22Cl2N2O4
Molecular Weight437.32 g/mol
Exact Mass436.10
IUPAC Name(4-propan-2-ylphenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
SMILESCC(C)c1ccc(COC(=O)CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C21H22Cl2N2O4/c1-13(2)15-5-3-14(4-6-15)12-29-20(27)11-24-19(26)10-25-21(28)17-8-7-16(22)9-18(17)23/h3-9,13H,10-12H2,1-2H3,(H,24,26)(H,25,28)
InChIKeyWALCWQZDGGDIMM-UHFFFAOYSA-N
XLogP3.71
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.32
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4-propan-2-ylphenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate with MolForge

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Related Compounds

methyl 5-[[2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetyl]oxymethyl]furan-2-carboxylate
CID 29390529
(3-fluorophenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
CID 8635005
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
CID 55399586
2-oxopropyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843867
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843801
benzyl 2-[(2,5-dichlorobenzoyl)amino]acetate
CID 26878280
2,4-dichloro-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 41387806
[1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
CID 46794783
2,4-dichloro-N-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 55350113
N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 8852436
2,4-dichloro-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 110280061
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
CID 16589137

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate?
The IUPAC name of (4-propan-2-ylphenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate (CID 22830639) is (4-propan-2-ylphenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate.
What is the SMILES notation for (4-propan-2-ylphenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate?
The canonical SMILES for (4-propan-2-ylphenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate is CC(C)c1ccc(COC(=O)CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (4-propan-2-ylphenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate?
The InChIKey is WALCWQZDGGDIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O4/c1-13(2)15-5-3-14(4-6-15)12-29-20(27)11-24-19(26)10-25-21(28)17-8-7-16(22)9-18(17)23/h3-9,13H,10-12H2,1-2H3,(H,24,26)(H,25,28).
What are the key properties of (4-propan-2-ylphenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate?
(4-propan-2-ylphenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate has a molecular weight of 437.32 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 22830639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).