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

C17H17BrN2O2 — CID 110362330

IUPAC3-bromo-N-(3-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1cccc(N2CCOCC2)c1)c1cccc(Br)c1
InChIInChI=1S/C17H17BrN2O2/c18-14-4-1-3-13(11-14)17(21)19-15-5-2-6-16(12-15)20-7-9-22-10-8-20/h1-6,11-12H,7-10H2,(H,19,21)
InChIKeyTXQSUNNFTGOAOS-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.54
Rot. Bonds3

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

3-bromo-N-(3-morpholin-4-ylphenyl)benzamide (PubChem CID 110362330) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 3-bromo-N-(3-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(3-morpholin-4-ylphenyl)benzamide
PubChem CID110362330
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC Name3-bromo-N-(3-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1cccc(N2CCOCC2)c1)c1cccc(Br)c1
InChIInChI=1S/C17H17BrN2O2/c18-14-4-1-3-13(11-14)17(21)19-15-5-2-6-16(12-15)20-7-9-22-10-8-20/h1-6,11-12H,7-10H2,(H,19,21)
InChIKeyTXQSUNNFTGOAOS-UHFFFAOYSA-N
XLogP3.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.54
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

3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide
CID 86821869
3-bromo-5-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110613015
4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 86821841
3-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
CID 1114261
5-bromo-2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 87042473
N-(3-morpholin-4-ylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 67061305
4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 142713208
4-bromo-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 55978304
3-bromo-N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 1276210
4-[3-[(3-bromophenyl)carbamoyl]phenyl]-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 67374630
3-bromo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 110405123
4-(1,3-dithiolan-2-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 75416504

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 3-bromo-N-(3-morpholin-4-ylphenyl)benzamide (CID 110362330) is 3-bromo-N-(3-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 3-bromo-N-(3-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 3-bromo-N-(3-morpholin-4-ylphenyl)benzamide is O=C(Nc1cccc(N2CCOCC2)c1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(3-morpholin-4-ylphenyl)benzamide?
The InChIKey is TXQSUNNFTGOAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c18-14-4-1-3-13(11-14)17(21)19-15-5-2-6-16(12-15)20-7-9-22-10-8-20/h1-6,11-12H,7-10H2,(H,19,21).
What are the key properties of 3-bromo-N-(3-morpholin-4-ylphenyl)benzamide?
3-bromo-N-(3-morpholin-4-ylphenyl)benzamide has a molecular weight of 361.24 g/mol, XLogP of 3.54, 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-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 110362330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).