3-bromo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide

C18H19BrN2O2 — CID 110405123

IUPAC3-bromo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
SMILESO=C(NCc1ccc(N2CCOCC2)cc1)c1cccc(Br)c1
InChIInChI=1S/C18H19BrN2O2/c19-16-3-1-2-15(12-16)18(22)20-13-14-4-6-17(7-5-14)21-8-10-23-11-9-21/h1-7,12H,8-11,13H2,(H,20,22)
InChIKeyPQBFQBORIJYPEM-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.22
Rot. Bonds4

About 3-bromo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide

3-bromo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide (PubChem CID 110405123) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 3-bromo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
PubChem CID110405123
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name3-bromo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
SMILESO=C(NCc1ccc(N2CCOCC2)cc1)c1cccc(Br)c1
InChIInChI=1S/C18H19BrN2O2/c19-16-3-1-2-15(12-16)18(22)20-13-14-4-6-17(7-5-14)21-8-10-23-11-9-21/h1-7,12H,8-11,13H2,(H,20,22)
InChIKeyPQBFQBORIJYPEM-UHFFFAOYSA-N
XLogP3.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-iodo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 95130808
N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
CID 94249234
N-[(4-morpholin-4-ylphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 50946109
N-[(4-bromophenyl)methyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
CID 50815991
3-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 9481167
3-morpholin-4-ylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 50944620
3-bromo-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362330
3-(4-methylpiperazin-1-yl)sulfonyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 50946670
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
3-morpholin-4-ylsulfonyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 99258291
3-bromo-N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 1276210
N-[(3-bromophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 20886712

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
The IUPAC name of 3-bromo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide (CID 110405123) is 3-bromo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
The canonical SMILES for 3-bromo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide is O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
The InChIKey is PQBFQBORIJYPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c19-16-3-1-2-15(12-16)18(22)20-13-14-4-6-17(7-5-14)21-8-10-23-11-9-21/h1-7,12H,8-11,13H2,(H,20,22).
What are the key properties of 3-bromo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
3-bromo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide has a molecular weight of 375.27 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide is sourced from PubChem (CID 110405123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).