3,5-dibromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

C14H18Br2N2O — CID 113349444

IUPAC3,5-dibromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(N(C)C(=O)c2cc(Br)cc(Br)c2)CC1
InChIInChI=1S/C14H18Br2N2O/c1-17-5-3-13(4-6-17)18(2)14(19)10-7-11(15)9-12(16)8-10/h7-9,13H,3-6H2,1-2H3
InChIKeyGWFCGRXEOMYCGP-UHFFFAOYSA-N
MW390.12 g/mol
LogP3.38
Rot. Bonds2

About 3,5-dibromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

3,5-dibromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 113349444) has the molecular formula C14H18Br2N2O and a molecular weight of 390.12 g/mol. Its IUPAC name is 3,5-dibromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID113349444
Molecular FormulaC14H18Br2N2O
Molecular Weight390.12 g/mol
Exact Mass387.98
IUPAC Name3,5-dibromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(N(C)C(=O)c2cc(Br)cc(Br)c2)CC1
InChIInChI=1S/C14H18Br2N2O/c1-17-5-3-13(4-6-17)18(2)14(19)10-7-11(15)9-12(16)8-10/h7-9,13H,3-6H2,1-2H3
InChIKeyGWFCGRXEOMYCGP-UHFFFAOYSA-N
XLogP3.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.12
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 60636354
3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide
CID 114022754
4-amino-3,5-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 82833409
3-bromo-5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 103826706
3-bromo-N-cyclopentyl-N,5-dimethylbenzamide
CID 104851892
3-[(3-bromobenzoyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 112834244
3,4-dihydroxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 103955316
5-bromo-2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 24690461
3-bromo-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide
CID 65374087
3-bromo-5-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 107939103
N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 39902838
2-amino-6-chloro-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 62155383

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 3,5-dibromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (CID 113349444) is 3,5-dibromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 3,5-dibromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is CN1CCC(N(C)C(=O)c2cc(Br)cc(Br)c2)CC1.
What is the InChIKey of 3,5-dibromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is GWFCGRXEOMYCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O/c1-17-5-3-13(4-6-17)18(2)14(19)10-7-11(15)9-12(16)8-10/h7-9,13H,3-6H2,1-2H3.
What are the key properties of 3,5-dibromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
3,5-dibromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 390.12 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 113349444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).