methyl 4-[acetyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]amino]benzoate

C20H21ClN2O4 — CID 113176399

IUPACmethyl 4-[acetyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccc(N(CC(=O)NCCc2ccc(Cl)cc2)C(C)=O)cc1
InChIInChI=1S/C20H21ClN2O4/c1-14(24)23(18-9-5-16(6-10-18)20(26)27-2)13-19(25)22-12-11-15-3-7-17(21)8-4-15/h3-10H,11-13H2,1-2H3,(H,22,25)
InChIKeyUNSNBXLEYKUZGP-UHFFFAOYSA-N
MW388.85 g/mol
LogP2.84
Rot. Bonds7

About methyl 4-[acetyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]amino]benzoate

methyl 4-[acetyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]amino]benzoate (PubChem CID 113176399) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is methyl 4-[acetyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[acetyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]amino]benzoate
PubChem CID113176399
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC Namemethyl 4-[acetyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccc(N(CC(=O)NCCc2ccc(Cl)cc2)C(C)=O)cc1
InChIInChI=1S/C20H21ClN2O4/c1-14(24)23(18-9-5-16(6-10-18)20(26)27-2)13-19(25)22-12-11-15-3-7-17(21)8-4-15/h3-10H,11-13H2,1-2H3,(H,22,25)
InChIKeyUNSNBXLEYKUZGP-UHFFFAOYSA-N
XLogP2.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[acetyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]amino]benzoate with MolForge

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Related Compounds

2-(N-acetyl-4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113173533
N-[2-(4-chlorophenyl)ethyl]-3-(N,4-diacetylanilino)propanamide
CID 113130830
2-(N-acetyl-4-chloroanilino)-N-propylacetamide
CID 113171472
2-(N-acetyl-4-ethylanilino)-N-(2-phenylethyl)acetamide
CID 113169247
methyl 4-[acetyl-[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]benzoate
CID 113176448
methyl 3-[acetyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 113176237
methyl 4-[2-[(2-chloroacetyl)amino]ethyl]benzoate
CID 68756324
methyl 3-[acetyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate
CID 113176223
2-[N-acetyl-4-(diethylamino)anilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113176865
2-(N-acetyl-3-chloro-4-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113172208
methyl 4-[2-[3-(4-chlorophenyl)sulfanylpropanoylamino]ethyl]benzoate
CID 46530131
methyl 4-[[2-(4-chlorophenyl)ethylcarbamoylamino]methyl]benzoate
CID 34668652

Frequently Asked Questions

What is the IUPAC name of methyl 4-[acetyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 4-[acetyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]amino]benzoate (CID 113176399) is methyl 4-[acetyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 4-[acetyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 4-[acetyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]amino]benzoate is COC(=O)c1ccc(N(CC(=O)NCCc2ccc(Cl)cc2)C(C)=O)cc1.
What is the InChIKey of methyl 4-[acetyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]amino]benzoate?
The InChIKey is UNSNBXLEYKUZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c1-14(24)23(18-9-5-16(6-10-18)20(26)27-2)13-19(25)22-12-11-15-3-7-17(21)8-4-15/h3-10H,11-13H2,1-2H3,(H,22,25).
What are the key properties of methyl 4-[acetyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]amino]benzoate?
methyl 4-[acetyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]amino]benzoate has a molecular weight of 388.85 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[acetyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 113176399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).