5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide

C17H15BrCl2N2O2 — CID 3540597

IUPAC5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1cc(Br)ccc1Cl
InChIInChI=1S/C17H15BrCl2N2O2/c18-11-1-3-14(19)13(9-11)17(23)21-12-2-4-16(15(20)10-12)22-5-7-24-8-6-22/h1-4,9-10H,5-8H2,(H,21,23)
InChIKeyDNPSXLLUFSWIAC-UHFFFAOYSA-N
MW430.13 g/mol
LogP4.84
Rot. Bonds3

About 5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide

5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide (PubChem CID 3540597) has the molecular formula C17H15BrCl2N2O2 and a molecular weight of 430.13 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
PubChem CID3540597
Molecular FormulaC17H15BrCl2N2O2
Molecular Weight430.13 g/mol
Exact Mass427.97
IUPAC Name5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1cc(Br)ccc1Cl
InChIInChI=1S/C17H15BrCl2N2O2/c18-11-1-3-14(19)13(9-11)17(23)21-12-2-4-16(15(20)10-12)22-5-7-24-8-6-22/h1-4,9-10H,5-8H2,(H,21,23)
InChIKeyDNPSXLLUFSWIAC-UHFFFAOYSA-N
XLogP4.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.13
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-[(5-bromo-2-chlorobenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 4907817
3-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
CID 1114261
5-bromo-2-chloro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 34442516
5-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 1227119
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-5-bromo-2-chlorobenzamide
CID 17319284
5-bromo-2-chloro-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 17172946
N-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylfuran-3-carboxamide
CID 2811743
2-bromo-N-(3-bromo-4-morpholin-4-ylphenyl)benzamide
CID 17220671
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromo-2-methoxybenzamide
CID 17111799
5-acetamido-N-(5-bromo-2-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 60566996
2,4-dichloro-N-(3-chloro-4-morpholin-4-ylphenyl)-5-(cyclopropylsulfamoyl)benzamide
CID 5295479
N-(3-chloro-4-piperidin-1-ylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 22781776

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide (CID 3540597) is 5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide is O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide?
The InChIKey is DNPSXLLUFSWIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrCl2N2O2/c18-11-1-3-14(19)13(9-11)17(23)21-12-2-4-16(15(20)10-12)22-5-7-24-8-6-22/h1-4,9-10H,5-8H2,(H,21,23).
What are the key properties of 5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide?
5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide has a molecular weight of 430.13 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 3540597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).