2-bromo-N-[2-[ethyl(propyl)amino]ethyl]-5-methoxybenzamide

C15H23BrN2O2 — CID 103719286

IUPAC2-bromo-N-[2-[ethyl(propyl)amino]ethyl]-5-methoxybenzamide
SMILESCCCN(CC)CCNC(=O)c1cc(OC)ccc1Br
InChIInChI=1S/C15H23BrN2O2/c1-4-9-18(5-2)10-8-17-15(19)13-11-12(20-3)6-7-14(13)16/h6-7,11H,4-5,8-10H2,1-3H3,(H,17,19)
InChIKeyQMZNEKOQWYRURA-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.92
Rot. Bonds8

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

2-bromo-N-[2-[ethyl(propyl)amino]ethyl]-5-methoxybenzamide (PubChem CID 103719286) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-bromo-N-[2-[ethyl(propyl)amino]ethyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-[2-[ethyl(propyl)amino]ethyl]-5-methoxybenzamide
PubChem CID103719286
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name2-bromo-N-[2-[ethyl(propyl)amino]ethyl]-5-methoxybenzamide
SMILESCCCN(CC)CCNC(=O)c1cc(OC)ccc1Br
InChIInChI=1S/C15H23BrN2O2/c1-4-9-18(5-2)10-8-17-15(19)13-11-12(20-3)6-7-14(13)16/h6-7,11H,4-5,8-10H2,1-3H3,(H,17,19)
InChIKeyQMZNEKOQWYRURA-UHFFFAOYSA-N
XLogP2.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(6-bromohexyl)-5-methoxybenzamide
CID 107847455
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429716
N-[2-(diethylamino)ethyl]-2-fluoro-4-methoxybenzamide
CID 103602887
2-bromo-N-(4-chlorobutyl)-5-methoxybenzamide
CID 106845438
2-bromo-N-hex-5-ynyl-5-methoxybenzamide
CID 113256097
2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide
CID 60748647
2-bromo-N-(3-cyclopropylpropyl)-5-methoxybenzamide
CID 113238439
2-bromo-5-methoxy-N-(5,5,5-trifluoropentyl)benzamide
CID 115491577
2-bromo-N-[(3S)-5-hydroxy-3-methylpentyl]-5-methoxybenzamide
CID 125144555
2-bromo-N-(4-chloropentyl)-5-methoxybenzamide
CID 114147401

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[ethyl(propyl)amino]ethyl]-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-[2-[ethyl(propyl)amino]ethyl]-5-methoxybenzamide (CID 103719286) is 2-bromo-N-[2-[ethyl(propyl)amino]ethyl]-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-[2-[ethyl(propyl)amino]ethyl]-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-[2-[ethyl(propyl)amino]ethyl]-5-methoxybenzamide is CCCN(CC)CCNC(=O)c1cc(OC)ccc1Br.
What is the InChIKey of 2-bromo-N-[2-[ethyl(propyl)amino]ethyl]-5-methoxybenzamide?
The InChIKey is QMZNEKOQWYRURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-4-9-18(5-2)10-8-17-15(19)13-11-12(20-3)6-7-14(13)16/h6-7,11H,4-5,8-10H2,1-3H3,(H,17,19).
What are the key properties of 2-bromo-N-[2-[ethyl(propyl)amino]ethyl]-5-methoxybenzamide?
2-bromo-N-[2-[ethyl(propyl)amino]ethyl]-5-methoxybenzamide has a molecular weight of 343.27 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[ethyl(propyl)amino]ethyl]-5-methoxybenzamide is sourced from PubChem (CID 103719286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).