3-(2-bromophenyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]propanamide

C21H23BrF2N2O — CID 55949551

IUPAC3-(2-bromophenyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]propanamide
SMILESO=C(CCc1ccccc1Br)NC1CCN(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C21H23BrF2N2O/c22-18-4-2-1-3-16(18)6-8-21(27)25-17-9-11-26(12-10-17)14-15-5-7-19(23)20(24)13-15/h1-5,7,13,17H,6,8-12,14H2,(H,25,27)
InChIKeyZOLHGQWSXWQGJO-UHFFFAOYSA-N
MW437.33 g/mol
LogP4.44
Rot. Bonds6

About 3-(2-bromophenyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]propanamide

3-(2-bromophenyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]propanamide (PubChem CID 55949551) has the molecular formula C21H23BrF2N2O and a molecular weight of 437.33 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]propanamide
PubChem CID55949551
Molecular FormulaC21H23BrF2N2O
Molecular Weight437.33 g/mol
Exact Mass436.10
IUPAC Name3-(2-bromophenyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]propanamide
SMILESO=C(CCc1ccccc1Br)NC1CCN(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C21H23BrF2N2O/c22-18-4-2-1-3-16(18)6-8-21(27)25-17-9-11-26(12-10-17)14-15-5-7-19(23)20(24)13-15/h1-5,7,13,17H,6,8-12,14H2,(H,25,27)
InChIKeyZOLHGQWSXWQGJO-UHFFFAOYSA-N
XLogP4.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.33
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide
CID 55836960
4-bromo-N-[3-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzamide
CID 60550207
2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide
CID 119946714
2-(2-benzylphenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide
CID 55949666
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 55950818
3-(2-ethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 55960312
N-[3-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 55836827
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 118783776
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(2-methylsulfanylphenyl)urea
CID 87009051
N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)propanamide
CID 127122392
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55949418
1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119857361

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]propanamide?
The IUPAC name of 3-(2-bromophenyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]propanamide (CID 55949551) is 3-(2-bromophenyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]propanamide?
The canonical SMILES for 3-(2-bromophenyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]propanamide is O=C(CCc1ccccc1Br)NC1CCN(Cc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 3-(2-bromophenyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]propanamide?
The InChIKey is ZOLHGQWSXWQGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrF2N2O/c22-18-4-2-1-3-16(18)6-8-21(27)25-17-9-11-26(12-10-17)14-15-5-7-19(23)20(24)13-15/h1-5,7,13,17H,6,8-12,14H2,(H,25,27).
What are the key properties of 3-(2-bromophenyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]propanamide?
3-(2-bromophenyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]propanamide has a molecular weight of 437.33 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 55949551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).