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

C17H16BrClN2O2 — CID 1114261

IUPAC3-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1cccc(Br)c1
InChIInChI=1S/C17H16BrClN2O2/c18-13-3-1-2-12(10-13)17(22)20-14-4-5-16(15(19)11-14)21-6-8-23-9-7-21/h1-5,10-11H,6-9H2,(H,20,22)
InChIKeyKPIAAYTYEDBABQ-UHFFFAOYSA-N
MW395.68 g/mol
LogP4.19
Rot. Bonds3

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

3-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide (PubChem CID 1114261) has the molecular formula C17H16BrClN2O2 and a molecular weight of 395.68 g/mol. Its IUPAC name is 3-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
PubChem CID1114261
Molecular FormulaC17H16BrClN2O2
Molecular Weight395.68 g/mol
Exact Mass394.01
IUPAC Name3-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1cccc(Br)c1
InChIInChI=1S/C17H16BrClN2O2/c18-13-3-1-2-12(10-13)17(22)20-14-4-5-16(15(19)11-14)21-6-8-23-9-7-21/h1-5,10-11H,6-9H2,(H,20,22)
InChIKeyKPIAAYTYEDBABQ-UHFFFAOYSA-N
XLogP4.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.68
LogP ≤ 54.19
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

5-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 1227119
5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
CID 3540597
3-bromo-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362330
3-bromo-N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]benzamide
CID 17050282
N-[[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-3-bromobenzamide
CID 17116163
N-(3-chloro-4-morpholin-4-ylphenyl)-3-(2-oxochromen-3-yl)benzamide
CID 1253836
3-bromo-N-(3-chloro-4-fluorophenyl)benzamide
CID 789113
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 5096755
N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 55363665
3-bromo-N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 1276210
N-(5-bromo-2-morpholin-4-ylphenyl)-3-cyanobenzamide
CID 46813523
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide
CID 17102762

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 3-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide (CID 1114261) is 3-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 3-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 3-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide is O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide?
The InChIKey is KPIAAYTYEDBABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O2/c18-13-3-1-2-12(10-13)17(22)20-14-4-5-16(15(19)11-14)21-6-8-23-9-7-21/h1-5,10-11H,6-9H2,(H,20,22).
What are the key properties of 3-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide?
3-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide has a molecular weight of 395.68 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 1114261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).