5-bromo-2-fluoro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide

C17H17BrFN3O2 — CID 32587849

IUPAC5-bromo-2-fluoro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccnc(N2CCOCC2)c1)c1cc(Br)ccc1F
InChIInChI=1S/C17H17BrFN3O2/c18-13-1-2-15(19)14(10-13)17(23)21-11-12-3-4-20-16(9-12)22-5-7-24-8-6-22/h1-4,9-10H,5-8,11H2,(H,21,23)
InChIKeyRAXDKUVMEVXSCD-UHFFFAOYSA-N
MW394.24 g/mol
LogP2.75
Rot. Bonds4

About 5-bromo-2-fluoro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide

5-bromo-2-fluoro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide (PubChem CID 32587849) has the molecular formula C17H17BrFN3O2 and a molecular weight of 394.24 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
PubChem CID32587849
Molecular FormulaC17H17BrFN3O2
Molecular Weight394.24 g/mol
Exact Mass393.05
IUPAC Name5-bromo-2-fluoro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccnc(N2CCOCC2)c1)c1cc(Br)ccc1F
InChIInChI=1S/C17H17BrFN3O2/c18-13-1-2-15(19)14(10-13)17(23)21-11-12-3-4-20-16(9-12)22-5-7-24-8-6-22/h1-4,9-10H,5-8,11H2,(H,21,23)
InChIKeyRAXDKUVMEVXSCD-UHFFFAOYSA-N
XLogP2.75
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.24
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

PETT deriv. 15
CID 492704
N-(4-bromophenyl)-2-(4-morpholinyl)nicotinamide
CID 2964248
2-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 18106926
N-(6-morpholino-3-pyridinyl)-4-(trifluoromethyl)benzenecarboxamide
CID 3258243
3-Bromo-N-[1-(morpholine-4-carbonyl)-2-pyridin-3-yl-vinyl]-benzamide
CID 5347405
4-bromo-N-[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 18106763
(2-Fluoro-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 759043
4-Fluorophenyl 4-(2-pyridyl)piperazinyl ketone
CID 759045
1-(3-Bromobenzoyl)-4-(2-pyridinyl)piperazine
CID 875397
4-bromo-N-cyclohexyl-N-2-pyridinylbenzamide
CID 1167370
3-(3-Bromophenyl)-1-[4-(2-pyridinyl)piperazino]-2-propen-1-one
CID 6004081
4-bromo-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 18106983

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide (CID 32587849) is 5-bromo-2-fluoro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide is O=C(NCc1ccnc(N2CCOCC2)c1)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide?
The InChIKey is RAXDKUVMEVXSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN3O2/c18-13-1-2-15(19)14(10-13)17(23)21-11-12-3-4-20-16(9-12)22-5-7-24-8-6-22/h1-4,9-10H,5-8,11H2,(H,21,23).
What are the key properties of 5-bromo-2-fluoro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide?
5-bromo-2-fluoro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide has a molecular weight of 394.24 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 32587849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).