4-chloro-N-[4-(2-ethoxyanilino)-4-oxobutyl]benzamide

C19H21ClN2O3 — CID 4857924

IUPAC4-chloro-N-[4-(2-ethoxyanilino)-4-oxobutyl]benzamide
SMILESCCOc1ccccc1NC(=O)CCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O3/c1-2-25-17-7-4-3-6-16(17)22-18(23)8-5-13-21-19(24)14-9-11-15(20)12-10-14/h3-4,6-7,9-12H,2,5,8,13H2,1H3,(H,21,24)(H,22,23)
InChIKeyAQHUGNGYLFZTKI-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.89
Rot. Bonds8

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

4-chloro-N-[4-(2-ethoxyanilino)-4-oxobutyl]benzamide (PubChem CID 4857924) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 4-chloro-N-[4-(2-ethoxyanilino)-4-oxobutyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(2-ethoxyanilino)-4-oxobutyl]benzamide
PubChem CID4857924
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name4-chloro-N-[4-(2-ethoxyanilino)-4-oxobutyl]benzamide
SMILESCCOc1ccccc1NC(=O)CCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O3/c1-2-25-17-7-4-3-6-16(17)22-18(23)8-5-13-21-19(24)14-9-11-15(20)12-10-14/h3-4,6-7,9-12H,2,5,8,13H2,1H3,(H,21,24)(H,22,23)
InChIKeyAQHUGNGYLFZTKI-UHFFFAOYSA-N
XLogP3.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(2-ethoxyanilino)-4-oxobutyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(2-ethoxyanilino)-4-oxobutyl]benzamide (CID 4857924) is 4-chloro-N-[4-(2-ethoxyanilino)-4-oxobutyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(2-ethoxyanilino)-4-oxobutyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(2-ethoxyanilino)-4-oxobutyl]benzamide is CCOc1ccccc1NC(=O)CCCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(2-ethoxyanilino)-4-oxobutyl]benzamide?
The InChIKey is AQHUGNGYLFZTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-2-25-17-7-4-3-6-16(17)22-18(23)8-5-13-21-19(24)14-9-11-15(20)12-10-14/h3-4,6-7,9-12H,2,5,8,13H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 4-chloro-N-[4-(2-ethoxyanilino)-4-oxobutyl]benzamide?
4-chloro-N-[4-(2-ethoxyanilino)-4-oxobutyl]benzamide has a molecular weight of 360.84 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(2-ethoxyanilino)-4-oxobutyl]benzamide is sourced from PubChem (CID 4857924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).