3,4-dichloro-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide

C19H20Cl2N2O2 — CID 48663587

IUPAC3,4-dichloro-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H20Cl2N2O2/c1-13(22-19(24)15-4-7-17(20)18(21)12-15)14-2-5-16(6-3-14)23-8-10-25-11-9-23/h2-7,12-13H,8-11H2,1H3,(H,22,24)
InChIKeyCGKGWWXKQDXNTN-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.32
Rot. Bonds4

About 3,4-dichloro-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide

3,4-dichloro-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide (PubChem CID 48663587) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
PubChem CID48663587
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name3,4-dichloro-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H20Cl2N2O2/c1-13(22-19(24)15-4-7-17(20)18(21)12-15)14-2-5-16(6-3-14)23-8-10-25-11-9-23/h2-7,12-13H,8-11H2,1H3,(H,22,24)
InChIKeyCGKGWWXKQDXNTN-UHFFFAOYSA-N
XLogP4.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-hydroxy-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
CID 48692579
4-methyl-3-morpholin-4-yl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
CID 46977369
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylbenzamide
CID 92674988
4-methyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-3-nitrobenzamide
CID 48663876
1-cyclopropyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]benzimidazole-5-carboxamide
CID 92625898
1-(2-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 49163632
2-(difluoromethyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 56561081
3,4-dichloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 55360682
methyl 4-chloro-3-[[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]carbamothioylamino]benzoate
CID 100764144
3,4-dichloro-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 35761538
4-methoxy-N-[1-(4-morpholin-4-ylphenyl)ethyl]pyridine-2-carboxamide
CID 166208501
N-butan-2-yl-4-morpholin-4-ylbenzamide
CID 47147969

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide (CID 48663587) is 3,4-dichloro-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide is CC(NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3,4-dichloro-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide?
The InChIKey is CGKGWWXKQDXNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-13(22-19(24)15-4-7-17(20)18(21)12-15)14-2-5-16(6-3-14)23-8-10-25-11-9-23/h2-7,12-13H,8-11H2,1H3,(H,22,24).
What are the key properties of 3,4-dichloro-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide?
3,4-dichloro-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide has a molecular weight of 379.29 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 48663587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).