2-[(1-benzylpiperidin-4-yl)amino]-4-bromo-6-fluorobenzamide

C19H21BrFN3O — CID 133423368

IUPAC2-[(1-benzylpiperidin-4-yl)amino]-4-bromo-6-fluorobenzamide
SMILESNC(=O)c1c(F)cc(Br)cc1NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21BrFN3O/c20-14-10-16(21)18(19(22)25)17(11-14)23-15-6-8-24(9-7-15)12-13-4-2-1-3-5-13/h1-5,10-11,15,23H,6-9,12H2,(H2,22,25)
InChIKeyVEOQYBDQOCAZKW-UHFFFAOYSA-N
MW406.30 g/mol
LogP3.76
Rot. Bonds5

About 2-[(1-benzylpiperidin-4-yl)amino]-4-bromo-6-fluorobenzamide

2-[(1-benzylpiperidin-4-yl)amino]-4-bromo-6-fluorobenzamide (PubChem CID 133423368) has the molecular formula C19H21BrFN3O and a molecular weight of 406.30 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)amino]-4-bromo-6-fluorobenzamide.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)amino]-4-bromo-6-fluorobenzamide
PubChem CID133423368
Molecular FormulaC19H21BrFN3O
Molecular Weight406.30 g/mol
Exact Mass405.09
IUPAC Name2-[(1-benzylpiperidin-4-yl)amino]-4-bromo-6-fluorobenzamide
SMILESNC(=O)c1c(F)cc(Br)cc1NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21BrFN3O/c20-14-10-16(21)18(19(22)25)17(11-14)23-15-6-8-24(9-7-15)12-13-4-2-1-3-5-13/h1-5,10-11,15,23H,6-9,12H2,(H2,22,25)
InChIKeyVEOQYBDQOCAZKW-UHFFFAOYSA-N
XLogP3.76
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.30
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(1-benzylpiperidin-4-yl)-4-fluorobenzene-1,2-diamine
CID 21193065
2-N-(1-benzylpiperidin-4-yl)-4-chlorobenzene-1,2-diamine
CID 22922520
3-[(1-benzylpiperidin-4-yl)amino]-4-fluorobenzonitrile
CID 21015031
[4-[[4-(2-fluoroanilino)piperidin-1-yl]methyl]phenyl]methanol
CID 110009486
N-[4-[[4-(2-fluoroanilino)piperidin-1-yl]methyl]phenyl]acetamide
CID 75515001
(E)-N-(1-benzylpiperidin-4-yl)-3-(5-bromo-2-fluorophenyl)prop-2-enamide
CID 26681649
N-(1-benzylpiperidin-4-yl)-5-bromopyridin-2-amine
CID 29049157
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea
CID 972217
3-[(1-benzylpiperidin-4-yl)amino]phenol
CID 28722324
2-[(1-benzylpiperidin-4-yl)amino]-2-methylpropanamide
CID 61211452
[(1-benzylpiperidin-4-yl)amino]carbamic acid
CID 68925695

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]-4-bromo-6-fluorobenzamide?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]-4-bromo-6-fluorobenzamide (CID 133423368) is 2-[(1-benzylpiperidin-4-yl)amino]-4-bromo-6-fluorobenzamide.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)amino]-4-bromo-6-fluorobenzamide?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)amino]-4-bromo-6-fluorobenzamide is NC(=O)c1c(F)cc(Br)cc1NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)amino]-4-bromo-6-fluorobenzamide?
The InChIKey is VEOQYBDQOCAZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrFN3O/c20-14-10-16(21)18(19(22)25)17(11-14)23-15-6-8-24(9-7-15)12-13-4-2-1-3-5-13/h1-5,10-11,15,23H,6-9,12H2,(H2,22,25).
What are the key properties of 2-[(1-benzylpiperidin-4-yl)amino]-4-bromo-6-fluorobenzamide?
2-[(1-benzylpiperidin-4-yl)amino]-4-bromo-6-fluorobenzamide has a molecular weight of 406.30 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-4-yl)amino]-4-bromo-6-fluorobenzamide is sourced from PubChem (CID 133423368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).