4-butoxy-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]benzamide

C20H23ClN2O3 — CID 7973208

IUPAC4-butoxy-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C20H23ClN2O3/c1-2-3-12-26-17-10-8-15(9-11-17)20(25)23-14-19(24)22-13-16-6-4-5-7-18(16)21/h4-11H,2-3,12-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyZHWRBTHQCMLQMG-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.57
Rot. Bonds9

About 4-butoxy-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]benzamide

4-butoxy-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]benzamide (PubChem CID 7973208) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 4-butoxy-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]benzamide
PubChem CID7973208
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name4-butoxy-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C20H23ClN2O3/c1-2-3-12-26-17-10-8-15(9-11-17)20(25)23-14-19(24)22-13-16-6-4-5-7-18(16)21/h4-11H,2-3,12-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyZHWRBTHQCMLQMG-UHFFFAOYSA-N
XLogP3.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-butoxy-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]benzamide 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

N-[(2-chlorophenyl)methyl]-4-heptoxybenzamide
CID 17194170
4-butoxy-N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]benzamide
CID 7478451
4-butoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55396567
4-butoxy-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263738
4-butoxy-N-[5-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 44956727
4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 7971592
4-butoxy-3-chloro-N-[(2-chlorophenyl)methyl]-5-methoxybenzamide
CID 7973201
4-butoxy-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 9342156
N-[(2-fluorophenyl)methyl]-4-pentoxybenzamide
CID 17068474
4-butoxy-N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]benzamide
CID 27887851
N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 27672476
N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenoxy)acetamide
CID 7639773

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]benzamide (CID 7973208) is 4-butoxy-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]benzamide is CCCCOc1ccc(C(=O)NCC(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of 4-butoxy-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is ZHWRBTHQCMLQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-2-3-12-26-17-10-8-15(9-11-17)20(25)23-14-19(24)22-13-16-6-4-5-7-18(16)21/h4-11H,2-3,12-14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-butoxy-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]benzamide?
4-butoxy-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 374.87 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 7973208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).