3-bromo-N-butyl-N-ethyl-4-methoxybenzamide

C14H20BrNO2 — CID 60667723

IUPAC3-bromo-N-butyl-N-ethyl-4-methoxybenzamide
SMILESCCCCN(CC)C(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C14H20BrNO2/c1-4-6-9-16(5-2)14(17)11-7-8-13(18-3)12(15)10-11/h7-8,10H,4-6,9H2,1-3H3
InChIKeyKVIDTEFFHVFRFU-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.72
Rot. Bonds6

About 3-bromo-N-butyl-N-ethyl-4-methoxybenzamide

3-bromo-N-butyl-N-ethyl-4-methoxybenzamide (PubChem CID 60667723) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 3-bromo-N-butyl-N-ethyl-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-butyl-N-ethyl-4-methoxybenzamide
PubChem CID60667723
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name3-bromo-N-butyl-N-ethyl-4-methoxybenzamide
SMILESCCCCN(CC)C(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C14H20BrNO2/c1-4-6-9-16(5-2)14(17)11-7-8-13(18-3)12(15)10-11/h7-8,10H,4-6,9H2,1-3H3
InChIKeyKVIDTEFFHVFRFU-UHFFFAOYSA-N
XLogP3.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-ethyl-4-methoxy-N-propylbenzamide
CID 60738275
3-bromo-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 61025267
N-benzyl-3-bromo-N-ethyl-4-methoxybenzamide
CID 60660630
N-butyl-N-ethyl-3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide
CID 61034198
3-bromo-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 61040728
N-(3-aminopropyl)-N-ethyl-3,4-dimethoxybenzamide
CID 43319202
3-[(4-bromophenyl)sulfamoyl]-N-butyl-N-ethyl-4-methoxybenzamide
CID 17480974
N-butyl-3-(tert-butylsulfamoyl)-N-ethyl-4-methoxybenzamide
CID 51166061
1-(3-bromo-4-methoxyphenyl)pentan-1-one
CID 43161744
3-bromo-N,N-dibutyl-4-fluorobenzamide
CID 103706821
3-bromo-4-methoxy-N-pentylbenzamide
CID 60660286
3-bromo-N-butan-2-yl-4-methoxy-N-methylbenzamide
CID 61025993

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-butyl-N-ethyl-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-butyl-N-ethyl-4-methoxybenzamide (CID 60667723) is 3-bromo-N-butyl-N-ethyl-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-butyl-N-ethyl-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-butyl-N-ethyl-4-methoxybenzamide is CCCCN(CC)C(=O)c1ccc(OC)c(Br)c1.
What is the InChIKey of 3-bromo-N-butyl-N-ethyl-4-methoxybenzamide?
The InChIKey is KVIDTEFFHVFRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-4-6-9-16(5-2)14(17)11-7-8-13(18-3)12(15)10-11/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 3-bromo-N-butyl-N-ethyl-4-methoxybenzamide?
3-bromo-N-butyl-N-ethyl-4-methoxybenzamide has a molecular weight of 314.22 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-butyl-N-ethyl-4-methoxybenzamide is sourced from PubChem (CID 60667723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).