5-bromo-2-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide

C18H18BrClN2O2 — CID 979198

IUPAC5-bromo-2-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C18H18BrClN2O2/c19-14-3-6-17(20)16(11-14)18(23)21-15-4-1-13(2-5-15)12-22-7-9-24-10-8-22/h1-6,11H,7-10,12H2,(H,21,23)
InChIKeyGECGJEGOIUQLGS-UHFFFAOYSA-N
MW409.71 g/mol
LogP4.19
Rot. Bonds4

About 5-bromo-2-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide

5-bromo-2-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide (PubChem CID 979198) has the molecular formula C18H18BrClN2O2 and a molecular weight of 409.71 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
PubChem CID979198
Molecular FormulaC18H18BrClN2O2
Molecular Weight409.71 g/mol
Exact Mass408.02
IUPAC Name5-bromo-2-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C18H18BrClN2O2/c19-14-3-6-17(20)16(11-14)18(23)21-15-4-1-13(2-5-15)12-22-7-9-24-10-8-22/h1-6,11H,7-10,12H2,(H,21,23)
InChIKeyGECGJEGOIUQLGS-UHFFFAOYSA-N
XLogP4.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.71
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 471639
2,5-dichloro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 979196
2-chloro-4,5-difluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 1328214
N-(4-(3-bromobenzamido)benzyl)-N,N-dimethyl-tetrahydro-2H-pyran-4-aminium
CID 25268085
2-(4-chlorophenyl)-N-[4-(4-morpholinylcarbonyl)phenyl]acetamide
CID 1002176
5-bromo-2-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 1254546
N-[2-(4-acetyl-1-piperazinyl)phenyl]-5-bromo-2-chlorobenzamide
CID 1259192
5-bromo-2-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 1265599
3-bromo-N-[4-(morpholin-4-ylcarbonyl)phenyl]benzamide
CID 1304814
5-bromo-2-chloro-N-{2-[4-(4-chlorobenzoyl)-1-piperazinyl]phenyl}benzamide
CID 1307587
5-bromo-2-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 2197490
4-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 979194

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide (CID 979198) is 5-bromo-2-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide is O=C(Nc1ccc(CN2CCOCC2)cc1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide?
The InChIKey is GECGJEGOIUQLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClN2O2/c19-14-3-6-17(20)16(11-14)18(23)21-15-4-1-13(2-5-15)12-22-7-9-24-10-8-22/h1-6,11H,7-10,12H2,(H,21,23).
What are the key properties of 5-bromo-2-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide?
5-bromo-2-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide has a molecular weight of 409.71 g/mol, XLogP of 4.19, 4 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-[4-(morpholin-4-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 979198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).