N-[3-[3-(4-chlorophenoxy)propyl-methylamino]-3-oxopropyl]benzamide

C20H23ClN2O3 — CID 55896935

IUPACN-[3-[3-(4-chlorophenoxy)propyl-methylamino]-3-oxopropyl]benzamide
SMILESCN(CCCOc1ccc(Cl)cc1)C(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C20H23ClN2O3/c1-23(14-5-15-26-18-10-8-17(21)9-11-18)19(24)12-13-22-20(25)16-6-3-2-4-7-16/h2-4,6-11H,5,12-15H2,1H3,(H,22,25)
InChIKeyMVZMSCYTVAQHJK-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.39
Rot. Bonds9

About N-[3-[3-(4-chlorophenoxy)propyl-methylamino]-3-oxopropyl]benzamide

N-[3-[3-(4-chlorophenoxy)propyl-methylamino]-3-oxopropyl]benzamide (PubChem CID 55896935) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[3-[3-(4-chlorophenoxy)propyl-methylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[3-(4-chlorophenoxy)propyl-methylamino]-3-oxopropyl]benzamide
PubChem CID55896935
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC NameN-[3-[3-(4-chlorophenoxy)propyl-methylamino]-3-oxopropyl]benzamide
SMILESCN(CCCOc1ccc(Cl)cc1)C(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C20H23ClN2O3/c1-23(14-5-15-26-18-10-8-17(21)9-11-18)19(24)12-13-22-20(25)16-6-3-2-4-7-16/h2-4,6-11H,5,12-15H2,1H3,(H,22,25)
InChIKeyMVZMSCYTVAQHJK-UHFFFAOYSA-N
XLogP3.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[3-(4-chlorophenoxy)propyl-methylamino]-3-oxopropyl]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

4-chloro-N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]benzamide
CID 9429637
N-[3-[2-(4-chlorophenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 18192126
N-[3-[methyl(octyl)amino]-3-oxopropyl]benzamide
CID 54175456
methyl 3-[3-benzamidopropanoyl(methyl)amino]propanoate
CID 60977381
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-(methylamino)butanamide
CID 54868859
N-[4-[2-[3-(4-chlorophenoxy)propyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55896812
3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide
CID 54874962
3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 119294025
N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119739919
N-[2-[3-(4-chlorophenoxy)propyl-methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55948688
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
N-[4-(4-chlorophenoxy)butyl]-4-(dimethylamino)benzamide
CID 24552497

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-chlorophenoxy)propyl-methylamino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[3-(4-chlorophenoxy)propyl-methylamino]-3-oxopropyl]benzamide (CID 55896935) is N-[3-[3-(4-chlorophenoxy)propyl-methylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[3-(4-chlorophenoxy)propyl-methylamino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[3-(4-chlorophenoxy)propyl-methylamino]-3-oxopropyl]benzamide is CN(CCCOc1ccc(Cl)cc1)C(=O)CCNC(=O)c1ccccc1.
What is the InChIKey of N-[3-[3-(4-chlorophenoxy)propyl-methylamino]-3-oxopropyl]benzamide?
The InChIKey is MVZMSCYTVAQHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-23(14-5-15-26-18-10-8-17(21)9-11-18)19(24)12-13-22-20(25)16-6-3-2-4-7-16/h2-4,6-11H,5,12-15H2,1H3,(H,22,25).
What are the key properties of N-[3-[3-(4-chlorophenoxy)propyl-methylamino]-3-oxopropyl]benzamide?
N-[3-[3-(4-chlorophenoxy)propyl-methylamino]-3-oxopropyl]benzamide has a molecular weight of 374.87 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-chlorophenoxy)propyl-methylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 55896935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).