3,5-dibromo-N-(1,2-dimethylpiperidin-4-yl)benzamide

C14H18Br2N2O — CID 103908813

IUPAC3,5-dibromo-N-(1,2-dimethylpiperidin-4-yl)benzamide
SMILESCC1CC(NC(=O)c2cc(Br)cc(Br)c2)CCN1C
InChIInChI=1S/C14H18Br2N2O/c1-9-5-13(3-4-18(9)2)17-14(19)10-6-11(15)8-12(16)7-10/h6-9,13H,3-5H2,1-2H3,(H,17,19)
InChIKeyJEWQBRRNLFUWDI-UHFFFAOYSA-N
MW390.12 g/mol
LogP3.42
Rot. Bonds2

About 3,5-dibromo-N-(1,2-dimethylpiperidin-4-yl)benzamide

3,5-dibromo-N-(1,2-dimethylpiperidin-4-yl)benzamide (PubChem CID 103908813) has the molecular formula C14H18Br2N2O and a molecular weight of 390.12 g/mol. Its IUPAC name is 3,5-dibromo-N-(1,2-dimethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(1,2-dimethylpiperidin-4-yl)benzamide
PubChem CID103908813
Molecular FormulaC14H18Br2N2O
Molecular Weight390.12 g/mol
Exact Mass387.98
IUPAC Name3,5-dibromo-N-(1,2-dimethylpiperidin-4-yl)benzamide
SMILESCC1CC(NC(=O)c2cc(Br)cc(Br)c2)CCN1C
InChIInChI=1S/C14H18Br2N2O/c1-9-5-13(3-4-18(9)2)17-14(19)10-6-11(15)8-12(16)7-10/h6-9,13H,3-5H2,1-2H3,(H,17,19)
InChIKeyJEWQBRRNLFUWDI-UHFFFAOYSA-N
XLogP3.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.12
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-4-carboxamide
CID 79005722
4-bromo-N-(1,2-dimethylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide
CID 79036256
3,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
CID 103907480
cis-(1R,3S)-3-[(3,5-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320556
2-bromo-N-(1,2-dimethylpiperidin-4-yl)-5-methylbenzamide
CID 81001993
N-(1,2-dimethylpiperidin-4-yl)-5-iodothiophene-3-carboxamide
CID 79005771
3,5-dibromo-N-(2-methyloxan-4-yl)benzamide
CID 103908540
3-bromo-N-(1,2-dimethylpiperidin-4-yl)-2-methylbenzamide
CID 79036258
N-(1,2-dimethylpiperidin-4-yl)-3-fluoro-4-nitrobenzamide
CID 79005458
3-bromo-5-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 104852532
4-chloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-2-carboxamide
CID 79005580
3-bromo-5-methyl-N-(2-methyloxan-4-yl)benzamide
CID 113461518

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(1,2-dimethylpiperidin-4-yl)benzamide?
The IUPAC name of 3,5-dibromo-N-(1,2-dimethylpiperidin-4-yl)benzamide (CID 103908813) is 3,5-dibromo-N-(1,2-dimethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(1,2-dimethylpiperidin-4-yl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(1,2-dimethylpiperidin-4-yl)benzamide is CC1CC(NC(=O)c2cc(Br)cc(Br)c2)CCN1C.
What is the InChIKey of 3,5-dibromo-N-(1,2-dimethylpiperidin-4-yl)benzamide?
The InChIKey is JEWQBRRNLFUWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O/c1-9-5-13(3-4-18(9)2)17-14(19)10-6-11(15)8-12(16)7-10/h6-9,13H,3-5H2,1-2H3,(H,17,19).
What are the key properties of 3,5-dibromo-N-(1,2-dimethylpiperidin-4-yl)benzamide?
3,5-dibromo-N-(1,2-dimethylpiperidin-4-yl)benzamide has a molecular weight of 390.12 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(1,2-dimethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 103908813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).