3-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide

C14H18BrNO4 — CID 80717764

IUPAC3-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide
SMILESCOc1cc(Br)c(OC)c(C(=O)NCC2(CO)CC2)c1
InChIInChI=1S/C14H18BrNO4/c1-19-9-5-10(12(20-2)11(15)6-9)13(18)16-7-14(8-17)3-4-14/h5-6,17H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyYAZUDJIHHFMTDM-UHFFFAOYSA-N
MW344.21 g/mol
LogP1.97
Rot. Bonds6

About 3-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide

3-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide (PubChem CID 80717764) has the molecular formula C14H18BrNO4 and a molecular weight of 344.21 g/mol. Its IUPAC name is 3-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide
PubChem CID80717764
Molecular FormulaC14H18BrNO4
Molecular Weight344.21 g/mol
Exact Mass343.04
IUPAC Name3-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide
SMILESCOc1cc(Br)c(OC)c(C(=O)NCC2(CO)CC2)c1
InChIInChI=1S/C14H18BrNO4/c1-19-9-5-10(12(20-2)11(15)6-9)13(18)16-7-14(8-17)3-4-14/h5-6,17H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyYAZUDJIHHFMTDM-UHFFFAOYSA-N
XLogP1.97
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide 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

2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methoxybenzamide
CID 115357765
3-bromo-N-(4-hydroxybutyl)-2,5-dimethoxybenzamide
CID 106843728
3-bromo-2,5-dimethoxy-N-(2-methylpropyl)benzamide
CID 24625138
3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methoxybenzamide
CID 115453958
3-bromo-N,2,5-trimethoxybenzamide
CID 60713137
3-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,5-dimethoxybenzamide
CID 107844964
ethyl 2-[(3-bromo-2,5-dimethoxybenzoyl)amino]acetate
CID 47257365
2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 115701396
3-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethoxybenzamide
CID 79027472
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethoxybenzamide
CID 115362436
3,5-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide
CID 115362194
3-bromo-N-butan-2-yl-2,5-dimethoxybenzamide
CID 24638571

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide?
The IUPAC name of 3-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide (CID 80717764) is 3-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide.
What is the SMILES notation for 3-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide?
The canonical SMILES for 3-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide is COc1cc(Br)c(OC)c(C(=O)NCC2(CO)CC2)c1.
What is the InChIKey of 3-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide?
The InChIKey is YAZUDJIHHFMTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO4/c1-19-9-5-10(12(20-2)11(15)6-9)13(18)16-7-14(8-17)3-4-14/h5-6,17H,3-4,7-8H2,1-2H3,(H,16,18).
What are the key properties of 3-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide?
3-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide has a molecular weight of 344.21 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide is sourced from PubChem (CID 80717764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).