2-bromo-5-fluoro-N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide

C16H21BrFN3O2 — CID 119562171

IUPAC2-bromo-5-fluoro-N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide
SMILESCNC1CCN(C(=O)CCNC(=O)c2cc(F)ccc2Br)CC1
InChIInChI=1S/C16H21BrFN3O2/c1-19-12-5-8-21(9-6-12)15(22)4-7-20-16(23)13-10-11(18)2-3-14(13)17/h2-3,10,12,19H,4-9H2,1H3,(H,20,23)
InChIKeyPMQABDCTKQFVLT-UHFFFAOYSA-N
MW386.27 g/mol
LogP1.92
Rot. Bonds5

About 2-bromo-5-fluoro-N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide

2-bromo-5-fluoro-N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide (PubChem CID 119562171) has the molecular formula C16H21BrFN3O2 and a molecular weight of 386.27 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide
PubChem CID119562171
Molecular FormulaC16H21BrFN3O2
Molecular Weight386.27 g/mol
Exact Mass385.08
IUPAC Name2-bromo-5-fluoro-N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide
SMILESCNC1CCN(C(=O)CCNC(=O)c2cc(F)ccc2Br)CC1
InChIInChI=1S/C16H21BrFN3O2/c1-19-12-5-8-21(9-6-12)15(22)4-7-20-16(23)13-10-11(18)2-3-14(13)17/h2-3,10,12,19H,4-9H2,1H3,(H,20,23)
InChIKeyPMQABDCTKQFVLT-UHFFFAOYSA-N
XLogP1.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.27
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide (CID 119562171) is 2-bromo-5-fluoro-N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide is CNC1CCN(C(=O)CCNC(=O)c2cc(F)ccc2Br)CC1.
What is the InChIKey of 2-bromo-5-fluoro-N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide?
The InChIKey is PMQABDCTKQFVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrFN3O2/c1-19-12-5-8-21(9-6-12)15(22)4-7-20-16(23)13-10-11(18)2-3-14(13)17/h2-3,10,12,19H,4-9H2,1H3,(H,20,23).
What are the key properties of 2-bromo-5-fluoro-N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide?
2-bromo-5-fluoro-N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide has a molecular weight of 386.27 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide is sourced from PubChem (CID 119562171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).