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

C14H19BrN2O2 — CID 2298646

IUPAC4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O2/c15-13-4-2-12(3-5-13)14(18)16-6-1-7-17-8-10-19-11-9-17/h2-5H,1,6-11H2,(H,16,18)
InChIKeyANTOGGFLAMOHOJ-UHFFFAOYSA-N
MW327.22 g/mol
LogP1.90
Rot. Bonds5

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

4-bromo-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 2298646) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 4-bromo-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID2298646
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O2/c15-13-4-2-12(3-5-13)14(18)16-6-1-7-17-8-10-19-11-9-17/h2-5H,1,6-11H2,(H,16,18)
InChIKeyANTOGGFLAMOHOJ-UHFFFAOYSA-N
XLogP1.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 51.90
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

1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168028
4-bromo-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 26697005
4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 62167538
4-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 35993710
5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 51155963
4-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 59001075
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
CID 4595283
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
1-(4-bromophenyl)-3-(4-morpholin-4-ylbutyl)urea
CID 46831361
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 4-bromo-N-(3-morpholin-4-ylpropyl)benzamide (CID 2298646) is 4-bromo-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 4-bromo-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 4-bromo-N-(3-morpholin-4-ylpropyl)benzamide is O=C(NCCCN1CCOCC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is ANTOGGFLAMOHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c15-13-4-2-12(3-5-13)14(18)16-6-1-7-17-8-10-19-11-9-17/h2-5H,1,6-11H2,(H,16,18).
What are the key properties of 4-bromo-N-(3-morpholin-4-ylpropyl)benzamide?
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 327.22 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 2298646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).