N-(1-bromopropan-2-yl)-4-methoxy-N-methylbenzamide

C12H16BrNO2 — CID 104556200

IUPACN-(1-bromopropan-2-yl)-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)C(C)CBr)cc1
InChIInChI=1S/C12H16BrNO2/c1-9(8-13)14(2)12(15)10-4-6-11(16-3)7-5-10/h4-7,9H,8H2,1-3H3
InChIKeyFZIJCYKXSABDBT-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.55
Rot. Bonds4

About N-(1-bromopropan-2-yl)-4-methoxy-N-methylbenzamide

N-(1-bromopropan-2-yl)-4-methoxy-N-methylbenzamide (PubChem CID 104556200) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-4-methoxy-N-methylbenzamide
PubChem CID104556200
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameN-(1-bromopropan-2-yl)-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)C(C)CBr)cc1
InChIInChI=1S/C12H16BrNO2/c1-9(8-13)14(2)12(15)10-4-6-11(16-3)7-5-10/h4-7,9H,8H2,1-3H3
InChIKeyFZIJCYKXSABDBT-UHFFFAOYSA-N
XLogP2.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-bromopropan-2-yl)-4-methoxy-N-methylbenzamide 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

N-(1-bromopropan-2-yl)-N-methyl-4-propan-2-yloxybenzamide
CID 113426450
N-(1-bromopropan-2-yl)-4-butoxy-N-methylbenzamide
CID 104555948
N-(1-bromopropan-2-yl)-4-iodo-N-methylbenzamide
CID 104556339
N-(1-bromopropan-2-yl)-3-methoxy-N-methylbenzamide
CID 104555963
4-methoxy-N'-(4-methoxybenzoyl)-N,N'-dimethylbenzohydrazide
CID 14949074
N-(1-bromopropan-2-yl)-3-chloro-4-hydroxy-N-methylbenzamide
CID 104555993
3-bromo-N-(1-bromopropan-2-yl)-4-fluoro-N-methylbenzamide
CID 107956806
methyl 4-[butan-2-yl(methyl)carbamoyl]benzoate
CID 75414326
N-(1-chloropropan-2-yl)-4-ethoxy-N-methylbenzamide
CID 104555583
4-methoxy-N-methyl-N-oxidobenzamide
CID 15105733
4-(bromomethyl)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 102852055
4-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61452521

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-4-methoxy-N-methylbenzamide?
The IUPAC name of N-(1-bromopropan-2-yl)-4-methoxy-N-methylbenzamide (CID 104556200) is N-(1-bromopropan-2-yl)-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)C(C)CBr)cc1.
What is the InChIKey of N-(1-bromopropan-2-yl)-4-methoxy-N-methylbenzamide?
The InChIKey is FZIJCYKXSABDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-9(8-13)14(2)12(15)10-4-6-11(16-3)7-5-10/h4-7,9H,8H2,1-3H3.
What are the key properties of N-(1-bromopropan-2-yl)-4-methoxy-N-methylbenzamide?
N-(1-bromopropan-2-yl)-4-methoxy-N-methylbenzamide has a molecular weight of 286.17 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 104556200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).