2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide

C13H19BrN2O2 — CID 60748647

IUPAC2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCC(C)N(C)C)c1
InChIInChI=1S/C13H19BrN2O2/c1-9(16(2)3)8-15-13(17)11-7-10(18-4)5-6-12(11)14/h5-7,9H,8H2,1-4H3,(H,15,17)
InChIKeyFEUVTBWHEAKZDV-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.14
Rot. Bonds5

About 2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide

2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide (PubChem CID 60748647) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide
PubChem CID60748647
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCC(C)N(C)C)c1
InChIInChI=1S/C13H19BrN2O2/c1-9(16(2)3)8-15-13(17)11-7-10(18-4)5-6-12(11)14/h5-7,9H,8H2,1-4H3,(H,15,17)
InChIKeyFEUVTBWHEAKZDV-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-methoxy-N-(2-methylsulfinylpropyl)benzamide
CID 115764428
N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide
CID 119996618
2-bromo-N-[2-(dimethylamino)propyl]-5-iodobenzamide
CID 103994631
2-bromo-N-[2-(dimethylamino)propyl]-5-fluorobenzamide
CID 60748378
2-bromo-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-methoxybenzamide
CID 95160183
2-bromo-N-(4-bromo-2-ethylbutyl)-5-methoxybenzamide
CID 113276353
2-bromo-5-methoxy-N-(3-methyl-2-phenylbutyl)benzamide
CID 46447047
2-bromo-N-[2-(dimethylamino)propyl]benzamide
CID 60748459
2-bromo-N-(2-chloro-4,4-dimethylpentyl)-5-methoxybenzamide
CID 107157131
2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 60745117
2-bromo-N-(4-chloropentyl)-5-methoxybenzamide
CID 114147401
2-bromo-N-[(3S)-5-hydroxy-3-methylpentyl]-5-methoxybenzamide
CID 125144555

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide (CID 60748647) is 2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide is COc1ccc(Br)c(C(=O)NCC(C)N(C)C)c1.
What is the InChIKey of 2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide?
The InChIKey is FEUVTBWHEAKZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-9(16(2)3)8-15-13(17)11-7-10(18-4)5-6-12(11)14/h5-7,9H,8H2,1-4H3,(H,15,17).
What are the key properties of 2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide?
2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide has a molecular weight of 315.21 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide is sourced from PubChem (CID 60748647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).