2,5-dichloro-N-(3-morpholin-4-ylphenyl)benzamide

C17H16Cl2N2O2 — CID 55952430

IUPAC2,5-dichloro-N-(3-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1cccc(N2CCOCC2)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H16Cl2N2O2/c18-12-4-5-16(19)15(10-12)17(22)20-13-2-1-3-14(11-13)21-6-8-23-9-7-21/h1-5,10-11H,6-9H2,(H,20,22)
InChIKeyNCJGXKJFOOAZEG-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.08
Rot. Bonds3

About 2,5-dichloro-N-(3-morpholin-4-ylphenyl)benzamide

2,5-dichloro-N-(3-morpholin-4-ylphenyl)benzamide (PubChem CID 55952430) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-morpholin-4-ylphenyl)benzamide
PubChem CID55952430
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name2,5-dichloro-N-(3-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1cccc(N2CCOCC2)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H16Cl2N2O2/c18-12-4-5-16(19)15(10-12)17(22)20-13-2-1-3-14(11-13)21-6-8-23-9-7-21/h1-5,10-11H,6-9H2,(H,20,22)
InChIKeyNCJGXKJFOOAZEG-UHFFFAOYSA-N
XLogP4.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

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Related Compounds

2,3,4-trifluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362363
2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362329
5-bromo-2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 87042473
5-chloro-3-methyl-N-(3-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 55951792
N-(2,5-dichlorophenyl)-2-(3-morpholin-4-ylanilino)propanamide
CID 87033300
N-(3-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 71938580
4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 86821841
3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide
CID 86821869
3-bromo-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362330
2,5-dichloro-N-(2-morpholin-4-yl-3-pyridinyl)benzamide
CID 47071256
4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 142713208
2,2-dimethyl-N-(3-morpholin-4-ylphenyl)propanamide
CID 47342308

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 2,5-dichloro-N-(3-morpholin-4-ylphenyl)benzamide (CID 55952430) is 2,5-dichloro-N-(3-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(3-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(3-morpholin-4-ylphenyl)benzamide is O=C(Nc1cccc(N2CCOCC2)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3-morpholin-4-ylphenyl)benzamide?
The InChIKey is NCJGXKJFOOAZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c18-12-4-5-16(19)15(10-12)17(22)20-13-2-1-3-14(11-13)21-6-8-23-9-7-21/h1-5,10-11H,6-9H2,(H,20,22).
What are the key properties of 2,5-dichloro-N-(3-morpholin-4-ylphenyl)benzamide?
2,5-dichloro-N-(3-morpholin-4-ylphenyl)benzamide has a molecular weight of 351.23 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 55952430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).