[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-chlorobenzoate

C20H21ClN2O4 — CID 7797485

IUPAC[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-chlorobenzoate
SMILESCCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21ClN2O4/c1-3-23(4-2)19(25)14-7-11-17(12-8-14)22-18(24)13-27-20(26)15-5-9-16(21)10-6-15/h5-12H,3-4,13H2,1-2H3,(H,22,24)
InChIKeyKHMNDWZFTSJFCK-UHFFFAOYSA-N
MW388.85 g/mol
LogP3.62
Rot. Bonds7

About [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-chlorobenzoate

[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-chlorobenzoate (PubChem CID 7797485) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-chlorobenzoate.

Molecular Properties

Compound Name[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-chlorobenzoate
PubChem CID7797485
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC Name[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-chlorobenzoate
SMILESCCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21ClN2O4/c1-3-23(4-2)19(25)14-7-11-17(12-8-14)22-18(24)13-27-20(26)15-5-9-16(21)10-6-15/h5-12H,3-4,13H2,1-2H3,(H,22,24)
InChIKeyKHMNDWZFTSJFCK-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-acetamidobenzoate
CID 7957923
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate
CID 7777347
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 8579572
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-propoxybenzoate
CID 7211957
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7146937
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 29459101
[2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 7574746
[2-(4-chloroanilino)-2-oxoethyl] 4-fluorobenzoate
CID 724983
[2-(4-chloroanilino)-2-oxoethyl] 4-(phenylcarbamoylamino)benzoate
CID 19059171
4-O-[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 7851851
ethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048450
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344

Frequently Asked Questions

What is the IUPAC name of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-chlorobenzoate?
The IUPAC name of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-chlorobenzoate (CID 7797485) is [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-chlorobenzoate.
What is the SMILES notation for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-chlorobenzoate?
The canonical SMILES for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-chlorobenzoate is CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-chlorobenzoate?
The InChIKey is KHMNDWZFTSJFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c1-3-23(4-2)19(25)14-7-11-17(12-8-14)22-18(24)13-27-20(26)15-5-9-16(21)10-6-15/h5-12H,3-4,13H2,1-2H3,(H,22,24).
What are the key properties of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-chlorobenzoate?
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-chlorobenzoate has a molecular weight of 388.85 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-chlorobenzoate is sourced from PubChem (CID 7797485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).