2,5-dichloro-N-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]benzamide

C19H21Cl2N3O2 — CID 71296271

IUPAC2,5-dichloro-N-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]benzamide
SMILESCN(C)CCCNC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H21Cl2N3O2/c1-24(2)11-5-10-22-18(25)14-6-3-4-7-17(14)23-19(26)15-12-13(20)8-9-16(15)21/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyNVGMFXDMLUPRKM-UHFFFAOYSA-N
MW394.30 g/mol
LogP3.93
Rot. Bonds7

About 2,5-dichloro-N-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]benzamide

2,5-dichloro-N-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]benzamide (PubChem CID 71296271) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]benzamide
PubChem CID71296271
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC Name2,5-dichloro-N-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]benzamide
SMILESCN(C)CCCNC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H21Cl2N3O2/c1-24(2)11-5-10-22-18(25)14-6-3-4-7-17(14)23-19(26)15-12-13(20)8-9-16(15)21/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyNVGMFXDMLUPRKM-UHFFFAOYSA-N
XLogP3.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 53.93
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-[2-(butylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 17256470
N-(2-acetylphenyl)-2,5-dichlorobenzamide
CID 26067712
N-[3-(dimethylamino)propyl]-2-[(4-phenylbenzoyl)amino]benzamide;hydrochloride
CID 52995391
2,5-dichloro-N-[3-(diethylamino)propyl]benzamide
CID 2165306
2-[(2-cyanoacetyl)amino]-N-[3-(dimethylamino)propyl]benzamide
CID 168521609
2,5-dichloro-N-[2-(dimethylamino)phenyl]benzamide
CID 30886701
6-N-(2-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096585
2,5-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide
CID 108540057
2,5-dichloro-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538079
2-chloro-N-[4-(dimethylamino)butyl]-5-sulfanylbenzamide
CID 107027522
N-(2-carbamothioylphenyl)-2,5-dichlorobenzamide
CID 28538198
6-N-(2,5-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
CID 109096411

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]benzamide (CID 71296271) is 2,5-dichloro-N-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]benzamide is CN(C)CCCNC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]benzamide?
The InChIKey is NVGMFXDMLUPRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-24(2)11-5-10-22-18(25)14-6-3-4-7-17(14)23-19(26)15-12-13(20)8-9-16(15)21/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 2,5-dichloro-N-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]benzamide?
2,5-dichloro-N-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]benzamide has a molecular weight of 394.30 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]benzamide is sourced from PubChem (CID 71296271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).