N-[4-(4-chlorophenoxy)butyl]-4-(dimethylamino)benzamide

C19H23ClN2O2 — CID 24552497

IUPACN-[4-(4-chlorophenoxy)butyl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NCCCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O2/c1-22(2)17-9-5-15(6-10-17)19(23)21-13-3-4-14-24-18-11-7-16(20)8-12-18/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyIROMEXBNYWFZRW-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.99
Rot. Bonds8

About N-[4-(4-chlorophenoxy)butyl]-4-(dimethylamino)benzamide

N-[4-(4-chlorophenoxy)butyl]-4-(dimethylamino)benzamide (PubChem CID 24552497) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)butyl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)butyl]-4-(dimethylamino)benzamide
PubChem CID24552497
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC NameN-[4-(4-chlorophenoxy)butyl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NCCCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O2/c1-22(2)17-9-5-15(6-10-17)19(23)21-13-3-4-14-24-18-11-7-16(20)8-12-18/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyIROMEXBNYWFZRW-UHFFFAOYSA-N
XLogP3.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(4-chlorophenoxy)butyl]-4-(dimethylamino)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-[4-(4-chlorophenoxy)butyl]-3,4,5-triethoxybenzamide
CID 16571870
4-(dimethylamino)-N-pentylbenzamide
CID 21064504
methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097617
4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
4-butoxy-N-hexadecylbenzamide
CID 4936106
4-(dimethylamino)-N-heptylbenzamide
CID 86046283
N-[4-(4-chlorophenoxy)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 24552489
4-(dimethylamino)-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 24552546
N-(3-aminopropyl)-4-(2-methoxyethoxy)benzamide;hydrochloride
CID 119406862
(4-propoxyphenyl) 4-[(4-chlorobenzoyl)amino]butanoate
CID 26197497
4-amino-N-[5-(4-aminophenoxy)pentyl]benzamide
CID 3026991
N-[4-(4-chlorophenoxy)butyl]-3-iodobenzamide
CID 16567606

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)butyl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[4-(4-chlorophenoxy)butyl]-4-(dimethylamino)benzamide (CID 24552497) is N-[4-(4-chlorophenoxy)butyl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[4-(4-chlorophenoxy)butyl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[4-(4-chlorophenoxy)butyl]-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)NCCCCOc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-(4-chlorophenoxy)butyl]-4-(dimethylamino)benzamide?
The InChIKey is IROMEXBNYWFZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-22(2)17-9-5-15(6-10-17)19(23)21-13-3-4-14-24-18-11-7-16(20)8-12-18/h5-12H,3-4,13-14H2,1-2H3,(H,21,23).
What are the key properties of N-[4-(4-chlorophenoxy)butyl]-4-(dimethylamino)benzamide?
N-[4-(4-chlorophenoxy)butyl]-4-(dimethylamino)benzamide has a molecular weight of 346.86 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)butyl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 24552497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).