2-amino-3-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

C14H20BrN3O — CID 110451168

IUPAC2-amino-3-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(N(C)C(=O)c2cccc(Br)c2N)CC1
InChIInChI=1S/C14H20BrN3O/c1-17-8-6-10(7-9-17)18(2)14(19)11-4-3-5-12(15)13(11)16/h3-5,10H,6-9,16H2,1-2H3
InChIKeyRHVBXEMNMJNCAS-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.20
Rot. Bonds2

About 2-amino-3-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

2-amino-3-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 110451168) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 2-amino-3-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-amino-3-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID110451168
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name2-amino-3-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(N(C)C(=O)c2cccc(Br)c2N)CC1
InChIInChI=1S/C14H20BrN3O/c1-17-8-6-10(7-9-17)18(2)14(19)11-4-3-5-12(15)13(11)16/h3-5,10H,6-9,16H2,1-2H3
InChIKeyRHVBXEMNMJNCAS-UHFFFAOYSA-N
XLogP2.20
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 2-amino-3-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (CID 110451168) is 2-amino-3-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-amino-3-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-amino-3-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is CN1CCC(N(C)C(=O)c2cccc(Br)c2N)CC1.
What is the InChIKey of 2-amino-3-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is RHVBXEMNMJNCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-17-8-6-10(7-9-17)18(2)14(19)11-4-3-5-12(15)13(11)16/h3-5,10H,6-9,16H2,1-2H3.
What are the key properties of 2-amino-3-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
2-amino-3-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 326.24 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 110451168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).