4-bromo-N-(2-ethoxypropyl)-2-methoxybenzamide

C13H18BrNO3 — CID 115648993

IUPAC4-bromo-N-(2-ethoxypropyl)-2-methoxybenzamide
SMILESCCOC(C)CNC(=O)c1ccc(Br)cc1OC
InChIInChI=1S/C13H18BrNO3/c1-4-18-9(2)8-15-13(16)11-6-5-10(14)7-12(11)17-3/h5-7,9H,4,8H2,1-3H3,(H,15,16)
InChIKeyJIVPZSARXPCGBZ-UHFFFAOYSA-N
MW316.20 g/mol
LogP2.61
Rot. Bonds6

About 4-bromo-N-(2-ethoxypropyl)-2-methoxybenzamide

4-bromo-N-(2-ethoxypropyl)-2-methoxybenzamide (PubChem CID 115648993) has the molecular formula C13H18BrNO3 and a molecular weight of 316.20 g/mol. Its IUPAC name is 4-bromo-N-(2-ethoxypropyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-ethoxypropyl)-2-methoxybenzamide
PubChem CID115648993
Molecular FormulaC13H18BrNO3
Molecular Weight316.20 g/mol
Exact Mass315.05
IUPAC Name4-bromo-N-(2-ethoxypropyl)-2-methoxybenzamide
SMILESCCOC(C)CNC(=O)c1ccc(Br)cc1OC
InChIInChI=1S/C13H18BrNO3/c1-4-18-9(2)8-15-13(16)11-6-5-10(14)7-12(11)17-3/h5-7,9H,4,8H2,1-3H3,(H,15,16)
InChIKeyJIVPZSARXPCGBZ-UHFFFAOYSA-N
XLogP2.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-(2-ethoxypropyl)-2-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-methoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906384
5-bromo-N-(2-ethoxypropyl)-2-methylbenzamide
CID 115648997
4-[(4-bromo-2-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 113295975
4-bromo-N-(2-bromo-4-methylpentyl)-2-methoxybenzamide
CID 107157714
4-bromo-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103726237
4-bromo-2-methoxy-N-(2,2,3-trimethylbutyl)benzamide
CID 114100346
4-bromo-N-(2-bromoethyl)-2-methoxybenzamide
CID 115369513
4-bromo-N-(4-hydroxypentyl)-2-methoxybenzamide
CID 107300567
N-acetyl-4-bromo-2-methoxybenzamide
CID 115369201
4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzamide
CID 115369589
N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide
CID 81482472
4-bromo-2-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 78987486

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-ethoxypropyl)-2-methoxybenzamide?
The IUPAC name of 4-bromo-N-(2-ethoxypropyl)-2-methoxybenzamide (CID 115648993) is 4-bromo-N-(2-ethoxypropyl)-2-methoxybenzamide.
What is the SMILES notation for 4-bromo-N-(2-ethoxypropyl)-2-methoxybenzamide?
The canonical SMILES for 4-bromo-N-(2-ethoxypropyl)-2-methoxybenzamide is CCOC(C)CNC(=O)c1ccc(Br)cc1OC.
What is the InChIKey of 4-bromo-N-(2-ethoxypropyl)-2-methoxybenzamide?
The InChIKey is JIVPZSARXPCGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3/c1-4-18-9(2)8-15-13(16)11-6-5-10(14)7-12(11)17-3/h5-7,9H,4,8H2,1-3H3,(H,15,16).
What are the key properties of 4-bromo-N-(2-ethoxypropyl)-2-methoxybenzamide?
4-bromo-N-(2-ethoxypropyl)-2-methoxybenzamide has a molecular weight of 316.20 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-ethoxypropyl)-2-methoxybenzamide is sourced from PubChem (CID 115648993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).