4-chloro-N-[4-(2,4-dimethoxyanilino)-4-oxobutyl]benzamide

C19H21ClN2O4 — CID 4827354

IUPAC4-chloro-N-[4-(2,4-dimethoxyanilino)-4-oxobutyl]benzamide
SMILESCOc1ccc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C19H21ClN2O4/c1-25-15-9-10-16(17(12-15)26-2)22-18(23)4-3-11-21-19(24)13-5-7-14(20)8-6-13/h5-10,12H,3-4,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyDWGJXOCTIBWJGJ-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.51
Rot. Bonds8

About 4-chloro-N-[4-(2,4-dimethoxyanilino)-4-oxobutyl]benzamide

4-chloro-N-[4-(2,4-dimethoxyanilino)-4-oxobutyl]benzamide (PubChem CID 4827354) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is 4-chloro-N-[4-(2,4-dimethoxyanilino)-4-oxobutyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(2,4-dimethoxyanilino)-4-oxobutyl]benzamide
PubChem CID4827354
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name4-chloro-N-[4-(2,4-dimethoxyanilino)-4-oxobutyl]benzamide
SMILESCOc1ccc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C19H21ClN2O4/c1-25-15-9-10-16(17(12-15)26-2)22-18(23)4-3-11-21-19(24)13-5-7-14(20)8-6-13/h5-10,12H,3-4,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyDWGJXOCTIBWJGJ-UHFFFAOYSA-N
XLogP3.51
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-chloro-N-[4-(2,4-dimethoxyanilino)-4-oxobutyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(2,4-dimethoxyanilino)-4-oxobutyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(2,4-dimethoxyanilino)-4-oxobutyl]benzamide (CID 4827354) is 4-chloro-N-[4-(2,4-dimethoxyanilino)-4-oxobutyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(2,4-dimethoxyanilino)-4-oxobutyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(2,4-dimethoxyanilino)-4-oxobutyl]benzamide is COc1ccc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)c(OC)c1.
What is the InChIKey of 4-chloro-N-[4-(2,4-dimethoxyanilino)-4-oxobutyl]benzamide?
The InChIKey is DWGJXOCTIBWJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-25-15-9-10-16(17(12-15)26-2)22-18(23)4-3-11-21-19(24)13-5-7-14(20)8-6-13/h5-10,12H,3-4,11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 4-chloro-N-[4-(2,4-dimethoxyanilino)-4-oxobutyl]benzamide?
4-chloro-N-[4-(2,4-dimethoxyanilino)-4-oxobutyl]benzamide has a molecular weight of 376.84 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(2,4-dimethoxyanilino)-4-oxobutyl]benzamide is sourced from PubChem (CID 4827354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).