4-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide

C14H18BrFN2O — CID 51093597

IUPAC4-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
SMILESCN1CCC(CNC(=O)c2ccc(Br)cc2F)CC1
InChIInChI=1S/C14H18BrFN2O/c1-18-6-4-10(5-7-18)9-17-14(19)12-3-2-11(15)8-13(12)16/h2-3,8,10H,4-7,9H2,1H3,(H,17,19)
InChIKeyBEPUOHWATVDZIA-UHFFFAOYSA-N
MW329.21 g/mol
LogP2.66
Rot. Bonds3

About 4-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide

4-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide (PubChem CID 51093597) has the molecular formula C14H18BrFN2O and a molecular weight of 329.21 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
PubChem CID51093597
Molecular FormulaC14H18BrFN2O
Molecular Weight329.21 g/mol
Exact Mass328.06
IUPAC Name4-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
SMILESCN1CCC(CNC(=O)c2ccc(Br)cc2F)CC1
InChIInChI=1S/C14H18BrFN2O/c1-18-6-4-10(5-7-18)9-17-14(19)12-3-2-11(15)8-13(12)16/h2-3,8,10H,4-7,9H2,1H3,(H,17,19)
InChIKeyBEPUOHWATVDZIA-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 47080623
4-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-2-fluorobenzamide
CID 60731815
3-fluoro-2-(methylamino)-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62661754
3-fluoro-2-hydrazinyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62661827
4-amino-3,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63185576
4-bromo-2-fluoro-N-(methoxymethyl)benzamide
CID 71433414
2-bromo-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 113255665
4-amino-3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62682426
3-bromo-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 104852574
4-bromo-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
CID 46419484
5-amino-2-fluoro-3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 103296322
2,5-dibromo-N-(cyclopropylmethyl)benzamide
CID 114369762

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide (CID 51093597) is 4-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide is CN1CCC(CNC(=O)c2ccc(Br)cc2F)CC1.
What is the InChIKey of 4-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The InChIKey is BEPUOHWATVDZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O/c1-18-6-4-10(5-7-18)9-17-14(19)12-3-2-11(15)8-13(12)16/h2-3,8,10H,4-7,9H2,1H3,(H,17,19).
What are the key properties of 4-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
4-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide has a molecular weight of 329.21 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 51093597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).