N-(1-bromo-3-methoxypropan-2-yl)-3-methoxybenzamide

C12H16BrNO3 — CID 106183814

IUPACN-(1-bromo-3-methoxypropan-2-yl)-3-methoxybenzamide
SMILESCOCC(CBr)NC(=O)c1cccc(OC)c1
InChIInChI=1S/C12H16BrNO3/c1-16-8-10(7-13)14-12(15)9-4-3-5-11(6-9)17-2/h3-6,10H,7-8H2,1-2H3,(H,14,15)
InChIKeyFORBYIZOJWANJW-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.83
Rot. Bonds6

About N-(1-bromo-3-methoxypropan-2-yl)-3-methoxybenzamide

N-(1-bromo-3-methoxypropan-2-yl)-3-methoxybenzamide (PubChem CID 106183814) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is N-(1-bromo-3-methoxypropan-2-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(1-bromo-3-methoxypropan-2-yl)-3-methoxybenzamide
PubChem CID106183814
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC NameN-(1-bromo-3-methoxypropan-2-yl)-3-methoxybenzamide
SMILESCOCC(CBr)NC(=O)c1cccc(OC)c1
InChIInChI=1S/C12H16BrNO3/c1-16-8-10(7-13)14-12(15)9-4-3-5-11(6-9)17-2/h3-6,10H,7-8H2,1-2H3,(H,14,15)
InChIKeyFORBYIZOJWANJW-UHFFFAOYSA-N
XLogP1.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-bromo-3-methoxypropan-2-yl)-3-propoxybenzamide
CID 106184785
N-(1-bromo-3-methoxypropan-2-yl)-2,6-dihydroxybenzamide
CID 106184915
N-(4-bromo-1-methoxybutan-2-yl)-3,5-dimethoxybenzamide
CID 106156481
N-(3-bromo-4-methoxybutyl)-3-methoxybenzamide
CID 114163322
3-[(3-methoxybenzoyl)amino]butanoic acid
CID 43092439
N-(4-hydroxybutan-2-yl)-3-methoxybenzamide
CID 81041104
N-(1-bromo-3-methoxypropan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 106184198
N-(1-chloro-3-phenylpropan-2-yl)-3-methoxybenzamide
CID 74554915
(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid
CID 42254442
methyl 3-(1-methoxybutan-2-ylcarbamoyl)benzoate
CID 23821566
N-(1-bromo-3-methoxypropan-2-yl)-2,3-difluorobenzamide
CID 106183792
N-(1-bromo-3-methoxypropan-2-yl)-2,3-dimethylbenzamide
CID 106183783

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methoxypropan-2-yl)-3-methoxybenzamide?
The IUPAC name of N-(1-bromo-3-methoxypropan-2-yl)-3-methoxybenzamide (CID 106183814) is N-(1-bromo-3-methoxypropan-2-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(1-bromo-3-methoxypropan-2-yl)-3-methoxybenzamide?
The canonical SMILES for N-(1-bromo-3-methoxypropan-2-yl)-3-methoxybenzamide is COCC(CBr)NC(=O)c1cccc(OC)c1.
What is the InChIKey of N-(1-bromo-3-methoxypropan-2-yl)-3-methoxybenzamide?
The InChIKey is FORBYIZOJWANJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c1-16-8-10(7-13)14-12(15)9-4-3-5-11(6-9)17-2/h3-6,10H,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-(1-bromo-3-methoxypropan-2-yl)-3-methoxybenzamide?
N-(1-bromo-3-methoxypropan-2-yl)-3-methoxybenzamide has a molecular weight of 302.17 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methoxypropan-2-yl)-3-methoxybenzamide is sourced from PubChem (CID 106183814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).