2,4-dichloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzamide

C21H25Cl2N3O2 — CID 43956151

IUPAC2,4-dichloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzamide
SMILESCN(C)c1ccc(C(CNC(=O)c2ccc(Cl)cc2Cl)N2CCOCC2)cc1
InChIInChI=1S/C21H25Cl2N3O2/c1-25(2)17-6-3-15(4-7-17)20(26-9-11-28-12-10-26)14-24-21(27)18-8-5-16(22)13-19(18)23/h3-8,13,20H,9-12,14H2,1-2H3,(H,24,27)
InChIKeyMRRJNRHJRQTTGU-UHFFFAOYSA-N
MW422.36 g/mol
LogP3.86
Rot. Bonds6

About 2,4-dichloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzamide

2,4-dichloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzamide (PubChem CID 43956151) has the molecular formula C21H25Cl2N3O2 and a molecular weight of 422.36 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzamide
PubChem CID43956151
Molecular FormulaC21H25Cl2N3O2
Molecular Weight422.36 g/mol
Exact Mass421.13
IUPAC Name2,4-dichloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzamide
SMILESCN(C)c1ccc(C(CNC(=O)c2ccc(Cl)cc2Cl)N2CCOCC2)cc1
InChIInChI=1S/C21H25Cl2N3O2/c1-25(2)17-6-3-15(4-7-17)20(26-9-11-28-12-10-26)14-24-21(27)18-8-5-16(22)13-19(18)23/h3-8,13,20H,9-12,14H2,1-2H3,(H,24,27)
InChIKeyMRRJNRHJRQTTGU-UHFFFAOYSA-N
XLogP3.86
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-(2-morpholin-4-yl-2-phenylethyl)benzamide
CID 46578639
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2,6-difluorobenzamide
CID 7496717
N'-(5-chloro-2-methylphenyl)-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide
CID 30774140
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 7496860
N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide
CID 30774053
N'-(4-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide
CID 18583635
5-chloro-2-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 17460307
2-chloro-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-4-nitrobenzamide
CID 7496508
N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide
CID 7645033
3-bromo-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzamide
CID 29090501
N'-(2-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide
CID 18583650
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 7496625

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzamide (CID 43956151) is 2,4-dichloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzamide is CN(C)c1ccc(C(CNC(=O)c2ccc(Cl)cc2Cl)N2CCOCC2)cc1.
What is the InChIKey of 2,4-dichloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzamide?
The InChIKey is MRRJNRHJRQTTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O2/c1-25(2)17-6-3-15(4-7-17)20(26-9-11-28-12-10-26)14-24-21(27)18-8-5-16(22)13-19(18)23/h3-8,13,20H,9-12,14H2,1-2H3,(H,24,27).
What are the key properties of 2,4-dichloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzamide?
2,4-dichloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzamide has a molecular weight of 422.36 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 43956151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).