3-bromo-N,5-dimethoxy-4-propoxybenzamide

C12H16BrNO4 — CID 51279320

IUPAC3-bromo-N,5-dimethoxy-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)NOC)cc1OC
InChIInChI=1S/C12H16BrNO4/c1-4-5-18-11-9(13)6-8(7-10(11)16-2)12(15)14-17-3/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyQSGXKTBVEISJTF-UHFFFAOYSA-N
MW318.17 g/mol
LogP2.54
Rot. Bonds6

About 3-bromo-N,5-dimethoxy-4-propoxybenzamide

3-bromo-N,5-dimethoxy-4-propoxybenzamide (PubChem CID 51279320) has the molecular formula C12H16BrNO4 and a molecular weight of 318.17 g/mol. Its IUPAC name is 3-bromo-N,5-dimethoxy-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-N,5-dimethoxy-4-propoxybenzamide
PubChem CID51279320
Molecular FormulaC12H16BrNO4
Molecular Weight318.17 g/mol
Exact Mass317.03
IUPAC Name3-bromo-N,5-dimethoxy-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)NOC)cc1OC
InChIInChI=1S/C12H16BrNO4/c1-4-5-18-11-9(13)6-8(7-10(11)16-2)12(15)14-17-3/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyQSGXKTBVEISJTF-UHFFFAOYSA-N
XLogP2.54
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-butyl-5-methoxy-4-propoxybenzamide
CID 18106222
3-bromo-5-methoxy-4-propoxybenzoic acid
CID 2414285
N-(1-amino-2-methylpropan-2-yl)-3-bromo-5-methoxy-4-propoxybenzamide
CID 119522830
3-bromo-5-methoxy-N-(2-methylbutan-2-yl)-4-propoxybenzamide
CID 42989597
3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
CID 3931758
3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide
CID 5213088
3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide
CID 5030458
3-bromo-N-(4-tert-butylphenyl)-5-methoxy-4-propoxybenzamide
CID 7913907
3-bromo-5-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
CID 40896926
3-bromo-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide
CID 18076244
3-bromo-N-[(4-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
CID 7935461
3-bromo-5-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide
CID 4797157

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,5-dimethoxy-4-propoxybenzamide?
The IUPAC name of 3-bromo-N,5-dimethoxy-4-propoxybenzamide (CID 51279320) is 3-bromo-N,5-dimethoxy-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-N,5-dimethoxy-4-propoxybenzamide?
The canonical SMILES for 3-bromo-N,5-dimethoxy-4-propoxybenzamide is CCCOc1c(Br)cc(C(=O)NOC)cc1OC.
What is the InChIKey of 3-bromo-N,5-dimethoxy-4-propoxybenzamide?
The InChIKey is QSGXKTBVEISJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO4/c1-4-5-18-11-9(13)6-8(7-10(11)16-2)12(15)14-17-3/h6-7H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 3-bromo-N,5-dimethoxy-4-propoxybenzamide?
3-bromo-N,5-dimethoxy-4-propoxybenzamide has a molecular weight of 318.17 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,5-dimethoxy-4-propoxybenzamide is sourced from PubChem (CID 51279320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).