3-bromo-2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide

C16H22BrFN2O — CID 107956383

IUPAC3-bromo-2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CC1CCCNC1)C(=O)c1cccc(Br)c1F
InChIInChI=1S/C16H22BrFN2O/c1-11(2)20(10-12-5-4-8-19-9-12)16(21)13-6-3-7-14(17)15(13)18/h3,6-7,11-12,19H,4-5,8-10H2,1-2H3
InChIKeyPIQDLOFGHOLADD-UHFFFAOYSA-N
MW357.27 g/mol
LogP3.44
Rot. Bonds4

About 3-bromo-2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide

3-bromo-2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide (PubChem CID 107956383) has the molecular formula C16H22BrFN2O and a molecular weight of 357.27 g/mol. Its IUPAC name is 3-bromo-2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-bromo-2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide
PubChem CID107956383
Molecular FormulaC16H22BrFN2O
Molecular Weight357.27 g/mol
Exact Mass356.09
IUPAC Name3-bromo-2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CC1CCCNC1)C(=O)c1cccc(Br)c1F
InChIInChI=1S/C16H22BrFN2O/c1-11(2)20(10-12-5-4-8-19-9-12)16(21)13-6-3-7-14(17)15(13)18/h3,6-7,11-12,19H,4-5,8-10H2,1-2H3
InChIKeyPIQDLOFGHOLADD-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 107956248
2-fluoro-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627734
1,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrrole-2-carboxamide
CID 106628957
3-bromo-N-cyclopropyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628507
2-bromo-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627953
3-cyano-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide
CID 106628943
3-bromo-2-chloro-N-ethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106629324
3-chloro-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 106629031
(3-bromo-2-fluorophenyl)-piperidin-3-ylmethanone
CID 106647090
2-(2-hydroxyphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide
CID 106629125
2-bromo-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 107983274
2-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide
CID 106628910

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 3-bromo-2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide (CID 107956383) is 3-bromo-2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-bromo-2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-bromo-2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide is CC(C)N(CC1CCCNC1)C(=O)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide?
The InChIKey is PIQDLOFGHOLADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrFN2O/c1-11(2)20(10-12-5-4-8-19-9-12)16(21)13-6-3-7-14(17)15(13)18/h3,6-7,11-12,19H,4-5,8-10H2,1-2H3.
What are the key properties of 3-bromo-2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide?
3-bromo-2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide has a molecular weight of 357.27 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 107956383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).