2-benzoyl-4-chloro-N-[4-[3-(dimethylamino)propoxy]-2-methylphenyl]benzamide

C26H27ClN2O3 — CID 15192415

IUPAC2-benzoyl-4-chloro-N-[4-[3-(dimethylamino)propoxy]-2-methylphenyl]benzamide
SMILESCc1cc(OCCCN(C)C)ccc1NC(=O)c1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C26H27ClN2O3/c1-18-16-21(32-15-7-14-29(2)3)11-13-24(18)28-26(31)22-12-10-20(27)17-23(22)25(30)19-8-5-4-6-9-19/h4-6,8-13,16-17H,7,14-15H2,1-3H3,(H,28,31)
InChIKeyJKVXRNIYLYQDFJ-UHFFFAOYSA-N
MW450.97 g/mol
LogP5.46
Rot. Bonds9

About 2-benzoyl-4-chloro-N-[4-[3-(dimethylamino)propoxy]-2-methylphenyl]benzamide

2-benzoyl-4-chloro-N-[4-[3-(dimethylamino)propoxy]-2-methylphenyl]benzamide (PubChem CID 15192415) has the molecular formula C26H27ClN2O3 and a molecular weight of 450.97 g/mol. Its IUPAC name is 2-benzoyl-4-chloro-N-[4-[3-(dimethylamino)propoxy]-2-methylphenyl]benzamide.

Molecular Properties

Compound Name2-benzoyl-4-chloro-N-[4-[3-(dimethylamino)propoxy]-2-methylphenyl]benzamide
PubChem CID15192415
Molecular FormulaC26H27ClN2O3
Molecular Weight450.97 g/mol
Exact Mass450.17
IUPAC Name2-benzoyl-4-chloro-N-[4-[3-(dimethylamino)propoxy]-2-methylphenyl]benzamide
SMILESCc1cc(OCCCN(C)C)ccc1NC(=O)c1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C26H27ClN2O3/c1-18-16-21(32-15-7-14-29(2)3)11-13-24(18)28-26(31)22-12-10-20(27)17-23(22)25(30)19-8-5-4-6-9-19/h4-6,8-13,16-17H,7,14-15H2,1-3H3,(H,28,31)
InChIKeyJKVXRNIYLYQDFJ-UHFFFAOYSA-N
XLogP5.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.97
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-benzoyl-4-chloro-N-[4-[3-(dimethylamino)propoxy]-2-methylphenyl]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-benzoyl-4-chlorophenyl)-4-(4-chloro-3-methylphenoxy)butanamide
CID 19191287
[5-chloro-2-[3-(dimethylamino)propylamino]phenyl]-phenylmethanone;hydrochloride
CID 162143161
2-benzoyl-N-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenyl]benzamide
CID 23935500
2-(4-benzoylphenoxy)-N-(4-chloro-2-methylphenyl)acetamide
CID 7717727
N-(2-benzoyl-4-chlorophenyl)-4-phenoxybutanamide
CID 19172248
[4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl]-phenylmethanone
CID 3019350
N-(2-benzoyl-4-chlorophenyl)-3-(2-methylpropoxy)benzamide
CID 4512457
2-benzoyl-N-(2,4-dimethylphenyl)benzamide
CID 16624399
N-(2-benzoyl-4-methylphenyl)-2,5-dichlorobenzamide
CID 23879994
2-benzoyl-N-(5-chloro-2-methoxyphenyl)benzamide
CID 16624498
2-(2-benzoyl-4-chlorophenoxy)-N-(2-methylphenyl)acetamide;ethane
CID 142824393
N-(2-benzoyl-4-chlorophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277363

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-4-chloro-N-[4-[3-(dimethylamino)propoxy]-2-methylphenyl]benzamide?
The IUPAC name of 2-benzoyl-4-chloro-N-[4-[3-(dimethylamino)propoxy]-2-methylphenyl]benzamide (CID 15192415) is 2-benzoyl-4-chloro-N-[4-[3-(dimethylamino)propoxy]-2-methylphenyl]benzamide.
What is the SMILES notation for 2-benzoyl-4-chloro-N-[4-[3-(dimethylamino)propoxy]-2-methylphenyl]benzamide?
The canonical SMILES for 2-benzoyl-4-chloro-N-[4-[3-(dimethylamino)propoxy]-2-methylphenyl]benzamide is Cc1cc(OCCCN(C)C)ccc1NC(=O)c1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of 2-benzoyl-4-chloro-N-[4-[3-(dimethylamino)propoxy]-2-methylphenyl]benzamide?
The InChIKey is JKVXRNIYLYQDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O3/c1-18-16-21(32-15-7-14-29(2)3)11-13-24(18)28-26(31)22-12-10-20(27)17-23(22)25(30)19-8-5-4-6-9-19/h4-6,8-13,16-17H,7,14-15H2,1-3H3,(H,28,31).
What are the key properties of 2-benzoyl-4-chloro-N-[4-[3-(dimethylamino)propoxy]-2-methylphenyl]benzamide?
2-benzoyl-4-chloro-N-[4-[3-(dimethylamino)propoxy]-2-methylphenyl]benzamide has a molecular weight of 450.97 g/mol, XLogP of 5.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-4-chloro-N-[4-[3-(dimethylamino)propoxy]-2-methylphenyl]benzamide is sourced from PubChem (CID 15192415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).