2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide

C12H17BrN2O2 — CID 43600621

IUPAC2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
SMILESCNCCCNC(=O)c1cc(OC)ccc1Br
InChIInChI=1S/C12H17BrN2O2/c1-14-6-3-7-15-12(16)10-8-9(17-2)4-5-11(10)13/h4-5,8,14H,3,6-7H2,1-2H3,(H,15,16)
InChIKeyGMQQIMKGIDZUFB-UHFFFAOYSA-N
MW301.18 g/mol
LogP1.80
Rot. Bonds6

About 2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide

2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide (PubChem CID 43600621) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
PubChem CID43600621
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
SMILESCNCCCNC(=O)c1cc(OC)ccc1Br
InChIInChI=1S/C12H17BrN2O2/c1-14-6-3-7-15-12(16)10-8-9(17-2)4-5-11(10)13/h4-5,8,14H,3,6-7H2,1-2H3,(H,15,16)
InChIKeyGMQQIMKGIDZUFB-UHFFFAOYSA-N
XLogP1.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429716
2-bromo-N-(6-bromohexyl)-5-methoxybenzamide
CID 107847455
2-bromo-N-(4-chlorobutyl)-5-methoxybenzamide
CID 106845438
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938
2-bromo-N-(3-cyclopropylpropyl)-5-methoxybenzamide
CID 113238439
2-bromo-5-methoxy-N-(5,5,5-trifluoropentyl)benzamide
CID 115491577
2-bromo-N-(4-chloropentyl)-5-methoxybenzamide
CID 114147401
2-bromo-N-hex-5-ynyl-5-methoxybenzamide
CID 113256097
2-bromo-5-methoxy-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 102685066
2-bromo-N-[(3S)-5-hydroxy-3-methylpentyl]-5-methoxybenzamide
CID 125144555
2-bromo-N-[3-(tert-butylamino)-3-oxopropyl]-5-methoxybenzamide
CID 115609106
2-bromo-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 27646500

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide (CID 43600621) is 2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide is CNCCCNC(=O)c1cc(OC)ccc1Br.
What is the InChIKey of 2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide?
The InChIKey is GMQQIMKGIDZUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-14-6-3-7-15-12(16)10-8-9(17-2)4-5-11(10)13/h4-5,8,14H,3,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide?
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide has a molecular weight of 301.18 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide is sourced from PubChem (CID 43600621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).