[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-chlorobenzoate

C20H20ClNO4 — CID 7797215

IUPAC[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-chlorobenzoate
SMILESCC(C)CC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H20ClNO4/c1-13(2)11-19(24)22-17-9-5-14(6-10-17)18(23)12-26-20(25)15-3-7-16(21)8-4-15/h3-10,13H,11-12H2,1-2H3,(H,22,24)
InChIKeyNENQPRNYEMGOBO-UHFFFAOYSA-N
MW373.84 g/mol
LogP4.36
Rot. Bonds7

About [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-chlorobenzoate

[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-chlorobenzoate (PubChem CID 7797215) has the molecular formula C20H20ClNO4 and a molecular weight of 373.84 g/mol. Its IUPAC name is [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-chlorobenzoate.

Molecular Properties

Compound Name[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-chlorobenzoate
PubChem CID7797215
Molecular FormulaC20H20ClNO4
Molecular Weight373.84 g/mol
Exact Mass373.11
IUPAC Name[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-chlorobenzoate
SMILESCC(C)CC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H20ClNO4/c1-13(2)11-19(24)22-17-9-5-14(6-10-17)18(23)12-26-20(25)15-3-7-16(21)8-4-15/h3-10,13H,11-12H2,1-2H3,(H,22,24)
InChIKeyNENQPRNYEMGOBO-UHFFFAOYSA-N
XLogP4.36
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-chlorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-methylbenzoate
CID 7971861
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 7808244
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] furan-3-carboxylate
CID 46648836
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 7988018
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-bromobenzoate
CID 7663009
4-[4-[2-(4-chlorophenyl)-2-oxoethoxy]carbonylanilino]-4-oxobutanoate
CID 6974741
N-[4-[2-(3,5-dichlorophenoxy)acetyl]phenyl]-3-methylbutanamide
CID 7467139
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-(methoxymethyl)benzoate
CID 9065062
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
CID 46459618
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7760486
cis-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 8020252
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 46826151

Frequently Asked Questions

What is the IUPAC name of [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-chlorobenzoate?
The IUPAC name of [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-chlorobenzoate (CID 7797215) is [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-chlorobenzoate.
What is the SMILES notation for [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-chlorobenzoate?
The canonical SMILES for [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-chlorobenzoate is CC(C)CC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-chlorobenzoate?
The InChIKey is NENQPRNYEMGOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO4/c1-13(2)11-19(24)22-17-9-5-14(6-10-17)18(23)12-26-20(25)15-3-7-16(21)8-4-15/h3-10,13H,11-12H2,1-2H3,(H,22,24).
What are the key properties of [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-chlorobenzoate?
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-chlorobenzoate has a molecular weight of 373.84 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-chlorobenzoate is sourced from PubChem (CID 7797215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).