4-butoxy-N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]benzamide

C20H23ClN2O3 — CID 7478451

IUPAC4-butoxy-N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NCc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H23ClN2O3/c1-2-3-11-26-18-9-7-16(8-10-18)20(25)23-14-19(24)22-13-15-5-4-6-17(21)12-15/h4-10,12H,2-3,11,13-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyVEMLLHUDFBDGBG-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.57
Rot. Bonds9

About 4-butoxy-N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]benzamide

4-butoxy-N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]benzamide (PubChem CID 7478451) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 4-butoxy-N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]benzamide
PubChem CID7478451
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name4-butoxy-N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NCc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H23ClN2O3/c1-2-3-11-26-18-9-7-16(8-10-18)20(25)23-14-19(24)22-13-15-5-4-6-17(21)12-15/h4-10,12H,2-3,11,13-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyVEMLLHUDFBDGBG-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-[(3-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-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide
CID 46651307
4-butoxy-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]benzamide
CID 7973208
4-butoxy-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263738
4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 7971592
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 27660429
4-butoxy-N-[2-(2,5-dichloroanilino)-2-oxoethyl]benzamide
CID 9440425
N'-(4-butoxybenzoyl)-3-chlorobenzohydrazide
CID 9475751
3-chloro-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 27231758
3-[[(4-butoxybenzoyl)amino]methyl]-N,N-dimethylbenzamide
CID 46415615
3-chloro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 38294554
1-(3-butoxypropyl)-3-[(3-chlorophenyl)methyl]urea
CID 108898647
N-(3-chlorophenyl)-4-pentoxybenzamide
CID 4934948

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]benzamide (CID 7478451) is 4-butoxy-N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]benzamide is CCCCOc1ccc(C(=O)NCC(=O)NCc2cccc(Cl)c2)cc1.
What is the InChIKey of 4-butoxy-N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is VEMLLHUDFBDGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-2-3-11-26-18-9-7-16(8-10-18)20(25)23-14-19(24)22-13-15-5-4-6-17(21)12-15/h4-10,12H,2-3,11,13-14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-butoxy-N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]benzamide?
4-butoxy-N-[2-[(3-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-[(3-chlorophenyl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 7478451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).