5-bromo-N-[2-[2-(diethylamino)ethoxy]ethyl]-2-methoxybenzamide

C16H25BrN2O3 — CID 110612673

IUPAC5-bromo-N-[2-[2-(diethylamino)ethoxy]ethyl]-2-methoxybenzamide
SMILESCCN(CC)CCOCCNC(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C16H25BrN2O3/c1-4-19(5-2)9-11-22-10-8-18-16(20)14-12-13(17)6-7-15(14)21-3/h6-7,12H,4-5,8-11H2,1-3H3,(H,18,20)
InChIKeyOJWZIQWUUFMCJN-UHFFFAOYSA-N
MW373.29 g/mol
LogP2.55
Rot. Bonds10

About 5-bromo-N-[2-[2-(diethylamino)ethoxy]ethyl]-2-methoxybenzamide

5-bromo-N-[2-[2-(diethylamino)ethoxy]ethyl]-2-methoxybenzamide (PubChem CID 110612673) has the molecular formula C16H25BrN2O3 and a molecular weight of 373.29 g/mol. Its IUPAC name is 5-bromo-N-[2-[2-(diethylamino)ethoxy]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[2-[2-(diethylamino)ethoxy]ethyl]-2-methoxybenzamide
PubChem CID110612673
Molecular FormulaC16H25BrN2O3
Molecular Weight373.29 g/mol
Exact Mass372.10
IUPAC Name5-bromo-N-[2-[2-(diethylamino)ethoxy]ethyl]-2-methoxybenzamide
SMILESCCN(CC)CCOCCNC(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C16H25BrN2O3/c1-4-19(5-2)9-11-22-10-8-18-16(20)14-12-13(17)6-7-15(14)21-3/h6-7,12H,4-5,8-11H2,1-3H3,(H,18,20)
InChIKeyOJWZIQWUUFMCJN-UHFFFAOYSA-N
XLogP2.55
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide
CID 17233433
5-bromo-N-heptyl-2-methoxybenzamide
CID 17094234
2,5-dibromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzamide
CID 104920627
methyl 4-[(5-bromo-2-methoxybenzoyl)amino]butanoate
CID 113241279
5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide
CID 4632919
2-[2-[(4-bromo-2-methoxybenzoyl)amino]ethoxy]acetic acid
CID 113295972
5-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 17094208
5-bromo-N-[2-(diethylamino)ethyl]-2-fluorobenzamide
CID 24691608
N-[2-(2-amino-2-oxoethoxy)ethyl]-4-bromo-2-methoxybenzamide
CID 113268416
N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxybenzamide
CID 12790645
5-bromo-2-methoxy-N'-methylbenzohydrazide
CID 116846857
5-bromo-N-[3-(diethylamino)propyl]-2-iodobenzamide
CID 103600067

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[2-(diethylamino)ethoxy]ethyl]-2-methoxybenzamide?
The IUPAC name of 5-bromo-N-[2-[2-(diethylamino)ethoxy]ethyl]-2-methoxybenzamide (CID 110612673) is 5-bromo-N-[2-[2-(diethylamino)ethoxy]ethyl]-2-methoxybenzamide.
What is the SMILES notation for 5-bromo-N-[2-[2-(diethylamino)ethoxy]ethyl]-2-methoxybenzamide?
The canonical SMILES for 5-bromo-N-[2-[2-(diethylamino)ethoxy]ethyl]-2-methoxybenzamide is CCN(CC)CCOCCNC(=O)c1cc(Br)ccc1OC.
What is the InChIKey of 5-bromo-N-[2-[2-(diethylamino)ethoxy]ethyl]-2-methoxybenzamide?
The InChIKey is OJWZIQWUUFMCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O3/c1-4-19(5-2)9-11-22-10-8-18-16(20)14-12-13(17)6-7-15(14)21-3/h6-7,12H,4-5,8-11H2,1-3H3,(H,18,20).
What are the key properties of 5-bromo-N-[2-[2-(diethylamino)ethoxy]ethyl]-2-methoxybenzamide?
5-bromo-N-[2-[2-(diethylamino)ethoxy]ethyl]-2-methoxybenzamide has a molecular weight of 373.29 g/mol, XLogP of 2.55, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[2-(diethylamino)ethoxy]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 110612673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).