methyl 2-[[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]amino]acetate

C20H21ClN2O4 — CID 60565344

IUPACmethyl 2-[[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]amino]acetate
SMILESCOC(=O)CN(CC(=O)Nc1cccc(C(C)=O)c1)Cc1ccccc1Cl
InChIInChI=1S/C20H21ClN2O4/c1-14(24)15-7-5-8-17(10-15)22-19(25)12-23(13-20(26)27-2)11-16-6-3-4-9-18(16)21/h3-10H,11-13H2,1-2H3,(H,22,25)
InChIKeyBHKRDQAALWSFJW-UHFFFAOYSA-N
MW388.85 g/mol
LogP3.16
Rot. Bonds8

About methyl 2-[[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]amino]acetate

methyl 2-[[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]amino]acetate (PubChem CID 60565344) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is methyl 2-[[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]amino]acetate
PubChem CID60565344
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC Namemethyl 2-[[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]amino]acetate
SMILESCOC(=O)CN(CC(=O)Nc1cccc(C(C)=O)c1)Cc1ccccc1Cl
InChIInChI=1S/C20H21ClN2O4/c1-14(24)15-7-5-8-17(10-15)22-19(25)12-23(13-20(26)27-2)11-16-6-3-4-9-18(16)21/h3-10H,11-13H2,1-2H3,(H,22,25)
InChIKeyBHKRDQAALWSFJW-UHFFFAOYSA-N
XLogP3.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]amino]acetate with MolForge

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Related Compounds

2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-acetylphenyl)acetamide
CID 113162643
N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]acetamide
CID 126213564
methyl 2-[(2-chlorophenyl)methyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate
CID 60565505
methyl 2-[(3-chloro-2-fluorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 103885183
methyl 2-[(2-chlorophenyl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetate
CID 51091367
[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]-methylazanium
CID 9057793
2-[(2-chlorophenyl)methyl-ethylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 52586973
N-(3-acetylphenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 60686695
N-(4-acetylphenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057922
3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide
CID 7677286
N-(3-acetylphenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30130872
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide
CID 113161495

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]amino]acetate (CID 60565344) is methyl 2-[[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]amino]acetate is COC(=O)CN(CC(=O)Nc1cccc(C(C)=O)c1)Cc1ccccc1Cl.
What is the InChIKey of methyl 2-[[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]amino]acetate?
The InChIKey is BHKRDQAALWSFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c1-14(24)15-7-5-8-17(10-15)22-19(25)12-23(13-20(26)27-2)11-16-6-3-4-9-18(16)21/h3-10H,11-13H2,1-2H3,(H,22,25).
What are the key properties of methyl 2-[[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]amino]acetate?
methyl 2-[[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]amino]acetate has a molecular weight of 388.85 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]amino]acetate is sourced from PubChem (CID 60565344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).