N-[3-(dimethylamino)propyl]-2-[(4-phenylbenzoyl)amino]benzamide;hydrochloride

C25H28ClN3O2 — CID 52995391

IUPACN-[3-(dimethylamino)propyl]-2-[(4-phenylbenzoyl)amino]benzamide;hydrochloride
SMILESCN(C)CCCNC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C25H27N3O2.ClH/c1-28(2)18-8-17-26-25(30)22-11-6-7-12-23(22)27-24(29)21-15-13-20(14-16-21)19-9-4-3-5-10-19;/h3-7,9-16H,8,17-18H2,1-2H3,(H,26,30)(H,27,29);1H
InChIKeyAUFPGWBFHZKDJQ-UHFFFAOYSA-N
MW437.97 g/mol
LogP4.71
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-2-[(4-phenylbenzoyl)amino]benzamide;hydrochloride

N-[3-(dimethylamino)propyl]-2-[(4-phenylbenzoyl)amino]benzamide;hydrochloride (PubChem CID 52995391) has the molecular formula C25H28ClN3O2 and a molecular weight of 437.97 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-[(4-phenylbenzoyl)amino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-[(4-phenylbenzoyl)amino]benzamide;hydrochloride
PubChem CID52995391
Molecular FormulaC25H28ClN3O2
Molecular Weight437.97 g/mol
Exact Mass437.19
IUPAC NameN-[3-(dimethylamino)propyl]-2-[(4-phenylbenzoyl)amino]benzamide;hydrochloride
SMILESCN(C)CCCNC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C25H27N3O2.ClH/c1-28(2)18-8-17-26-25(30)22-11-6-7-12-23(22)27-24(29)21-15-13-20(14-16-21)19-9-4-3-5-10-19;/h3-7,9-16H,8,17-18H2,1-2H3,(H,26,30)(H,27,29);1H
InChIKeyAUFPGWBFHZKDJQ-UHFFFAOYSA-N
XLogP4.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.97
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[(4-phenylbenzoyl)amino]benzamide
CID 4949283
1-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046007
2-[(2-cyanoacetyl)amino]-N-[3-(dimethylamino)propyl]benzamide
CID 168521609
N-[3-(dimethylamino)propyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide
CID 15410383
1-N-[3-(dimethylamino)propyl]-4-N-(2-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109046031
2,5-dichloro-N-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]benzamide
CID 71296271
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191
N-butyl-2-[(4-phenylbenzoyl)carbamothioylamino]benzamide
CID 17149440
2-benzoyl-N-[3-(dimethylamino)propyl]benzamide
CID 78793921
N-[2-[2-(dimethylamino)ethoxy]phenyl]-4-phenylbenzamide
CID 18672579
4-[3-(dimethylamino)propylcarbamoyl]benzoic acid;hydrochloride
CID 163333032
N-(2-acetylphenyl)-4-phenylbenzamide
CID 4799727

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-[(4-phenylbenzoyl)amino]benzamide;hydrochloride?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-[(4-phenylbenzoyl)amino]benzamide;hydrochloride (CID 52995391) is N-[3-(dimethylamino)propyl]-2-[(4-phenylbenzoyl)amino]benzamide;hydrochloride.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-[(4-phenylbenzoyl)amino]benzamide;hydrochloride?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-[(4-phenylbenzoyl)amino]benzamide;hydrochloride is CN(C)CCCNC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1.Cl.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-[(4-phenylbenzoyl)amino]benzamide;hydrochloride?
The InChIKey is AUFPGWBFHZKDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2.ClH/c1-28(2)18-8-17-26-25(30)22-11-6-7-12-23(22)27-24(29)21-15-13-20(14-16-21)19-9-4-3-5-10-19;/h3-7,9-16H,8,17-18H2,1-2H3,(H,26,30)(H,27,29);1H.
What are the key properties of N-[3-(dimethylamino)propyl]-2-[(4-phenylbenzoyl)amino]benzamide;hydrochloride?
N-[3-(dimethylamino)propyl]-2-[(4-phenylbenzoyl)amino]benzamide;hydrochloride has a molecular weight of 437.97 g/mol, XLogP of 4.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-[(4-phenylbenzoyl)amino]benzamide;hydrochloride is sourced from PubChem (CID 52995391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).