3-bromo-N-methyl-4-(2-methylpropoxy)benzamide

C12H16BrNO2 — CID 17351710

IUPAC3-bromo-N-methyl-4-(2-methylpropoxy)benzamide
SMILESCNC(=O)c1ccc(OCC(C)C)c(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-8(2)7-16-11-5-4-9(6-10(11)13)12(15)14-3/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyXGKZWJHFUIDLSM-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.84
Rot. Bonds4

About 3-bromo-N-methyl-4-(2-methylpropoxy)benzamide

3-bromo-N-methyl-4-(2-methylpropoxy)benzamide (PubChem CID 17351710) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 3-bromo-N-methyl-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name3-bromo-N-methyl-4-(2-methylpropoxy)benzamide
PubChem CID17351710
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name3-bromo-N-methyl-4-(2-methylpropoxy)benzamide
SMILESCNC(=O)c1ccc(OCC(C)C)c(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-8(2)7-16-11-5-4-9(6-10(11)13)12(15)14-3/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyXGKZWJHFUIDLSM-UHFFFAOYSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-ethyl-4-(2-methylpropoxy)benzamide
CID 17351708
3-bromo-N-(3,5-dimethylphenyl)-4-(2-methylpropoxy)benzamide
CID 17351586
3-bromo-4-(2-methoxyethoxy)-N-methylbenzamide
CID 15943150
3-bromo-4-(2-methylpropoxy)-N-(2,4,5-trichlorophenyl)benzamide
CID 17351631
3-bromo-N-(2,5-dichlorophenyl)-4-(2-methylpropoxy)benzamide
CID 17351668
3-bromo-4-(2-methylpropoxy)-N-(piperidine-1-carbothioyl)benzamide
CID 17352220
methyl 4-[[3-bromo-4-(2-methylpropoxy)benzoyl]carbamothioylamino]benzoate
CID 17352230
3-bromo-N-(3-hydroxypropylcarbamothioyl)-4-(2-methylpropoxy)benzamide
CID 17352338
3-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-4-(2-methylpropoxy)benzamide
CID 17199563
3-bromo-N-(1-hydroxybutan-2-ylcarbamothioyl)-4-(2-methylpropoxy)benzamide
CID 17162185
3-bromo-N'-[2-(4-chlorophenyl)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 17351923
3-bromo-N-[[4-(ethylcarbamoyl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 17234544

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-4-(2-methylpropoxy)benzamide?
The IUPAC name of 3-bromo-N-methyl-4-(2-methylpropoxy)benzamide (CID 17351710) is 3-bromo-N-methyl-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for 3-bromo-N-methyl-4-(2-methylpropoxy)benzamide?
The canonical SMILES for 3-bromo-N-methyl-4-(2-methylpropoxy)benzamide is CNC(=O)c1ccc(OCC(C)C)c(Br)c1.
What is the InChIKey of 3-bromo-N-methyl-4-(2-methylpropoxy)benzamide?
The InChIKey is XGKZWJHFUIDLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-8(2)7-16-11-5-4-9(6-10(11)13)12(15)14-3/h4-6,8H,7H2,1-3H3,(H,14,15).
What are the key properties of 3-bromo-N-methyl-4-(2-methylpropoxy)benzamide?
3-bromo-N-methyl-4-(2-methylpropoxy)benzamide has a molecular weight of 286.17 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 17351710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).