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

C14H18BrClN2O2 — CID 51155963

IUPAC5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H18BrClN2O2/c15-11-2-3-13(16)12(10-11)14(19)17-4-1-5-18-6-8-20-9-7-18/h2-3,10H,1,4-9H2,(H,17,19)
InChIKeyVZSURUPXXMWOIV-UHFFFAOYSA-N
MW361.67 g/mol
LogP2.55
Rot. Bonds5

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

5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 51155963) has the molecular formula C14H18BrClN2O2 and a molecular weight of 361.67 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID51155963
Molecular FormulaC14H18BrClN2O2
Molecular Weight361.67 g/mol
Exact Mass360.02
IUPAC Name5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H18BrClN2O2/c15-11-2-3-13(16)12(10-11)14(19)17-4-1-5-18-6-8-20-9-7-18/h2-3,10H,1,4-9H2,(H,17,19)
InChIKeyVZSURUPXXMWOIV-UHFFFAOYSA-N
XLogP2.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.67
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
5-bromo-2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892507
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
5-bromo-2-hydroxy-N-(2-morpholin-4-ylethyl)benzamide
CID 47100697
2-chloro-5-(dimethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 8884146
4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43805782
2-amino-4-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168459
4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119394241
3-bromo-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
CID 106547752
4-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
CID 81226039
5-bromo-2-iodo-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 113219048
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide (CID 51155963) is 5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide is O=C(NCCCN1CCOCC1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is VZSURUPXXMWOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O2/c15-11-2-3-13(16)12(10-11)14(19)17-4-1-5-18-6-8-20-9-7-18/h2-3,10H,1,4-9H2,(H,17,19).
What are the key properties of 5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide?
5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 361.67 g/mol, XLogP of 2.55, 5 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-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 51155963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).