2-bromo-4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide

C15H20BrFN2O — CID 51219889

IUPAC2-bromo-4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCC(C)N1CCC(NC(=O)c2ccc(F)cc2Br)CC1
InChIInChI=1S/C15H20BrFN2O/c1-10(2)19-7-5-12(6-8-19)18-15(20)13-4-3-11(17)9-14(13)16/h3-4,9-10,12H,5-8H2,1-2H3,(H,18,20)
InChIKeyWHGFTUNZVABAAW-UHFFFAOYSA-N
MW343.24 g/mol
LogP3.19
Rot. Bonds3

About 2-bromo-4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide

2-bromo-4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide (PubChem CID 51219889) has the molecular formula C15H20BrFN2O and a molecular weight of 343.24 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
PubChem CID51219889
Molecular FormulaC15H20BrFN2O
Molecular Weight343.24 g/mol
Exact Mass342.07
IUPAC Name2-bromo-4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCC(C)N1CCC(NC(=O)c2ccc(F)cc2Br)CC1
InChIInChI=1S/C15H20BrFN2O/c1-10(2)19-7-5-12(6-8-19)18-15(20)13-4-3-11(17)9-14(13)16/h3-4,9-10,12H,5-8H2,1-2H3,(H,18,20)
InChIKeyWHGFTUNZVABAAW-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-cyclopentyl-4-fluorobenzamide
CID 9209126
2-bromo-N-cyclooctyl-4-fluorobenzamide
CID 24693747
2-fluoro-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 103603318
2-bromo-N-(3,4-dimethylcyclohexyl)-4-fluorobenzamide
CID 64741558
2-chloro-4,5-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 17173512
5-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]benzamide
CID 112834568
2,3-difluoro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 105380732
N-(1-ethylpiperidin-4-yl)-2,4-difluorobenzamide
CID 36811979
6-bromo-N-(1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide
CID 66462526
N-cyclobutyl-2,4-difluorobenzamide
CID 70247338
2-(4-fluorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 25236761
2,3-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236643

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide (CID 51219889) is 2-bromo-4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide is CC(C)N1CCC(NC(=O)c2ccc(F)cc2Br)CC1.
What is the InChIKey of 2-bromo-4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The InChIKey is WHGFTUNZVABAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O/c1-10(2)19-7-5-12(6-8-19)18-15(20)13-4-3-11(17)9-14(13)16/h3-4,9-10,12H,5-8H2,1-2H3,(H,18,20).
What are the key properties of 2-bromo-4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
2-bromo-4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide has a molecular weight of 343.24 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 51219889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).