3-bromo-N-methyl-N-(2-methylpropyl)benzamide

C12H16BrNO — CID 43243440

IUPAC3-bromo-N-methyl-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(C)C(=O)c1cccc(Br)c1
InChIInChI=1S/C12H16BrNO/c1-9(2)8-14(3)12(15)10-5-4-6-11(13)7-10/h4-7,9H,8H2,1-3H3
InChIKeyVTNDRUBGRRFIMO-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.18
Rot. Bonds3

About 3-bromo-N-methyl-N-(2-methylpropyl)benzamide

3-bromo-N-methyl-N-(2-methylpropyl)benzamide (PubChem CID 43243440) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-methyl-N-(2-methylpropyl)benzamide
PubChem CID43243440
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name3-bromo-N-methyl-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(C)C(=O)c1cccc(Br)c1
InChIInChI=1S/C12H16BrNO/c1-9(2)8-14(3)12(15)10-5-4-6-11(13)7-10/h4-7,9H,8H2,1-3H3
InChIKeyVTNDRUBGRRFIMO-UHFFFAOYSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(2-chloropropyl)-N-methylbenzamide
CID 63393941
3-acetamido-N-methyl-N-(2-methylpropyl)benzamide
CID 47163271
3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63695423
3-(chloromethyl)-N-methyl-N-(2-methylpropyl)benzamide
CID 43271895
3-[(3-bromobenzoyl)-methylamino]propanoic acid
CID 60989178
3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 31145203
3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylpropyl)benzamide
CID 134058978
3-bromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47180891
3,4-dihydroxy-N-methyl-N-(2-methylpropyl)benzamide
CID 103956449
N-(2-bromopropyl)-3-hydroxy-N-methylbenzamide
CID 80665697
N-[(4-aminophenyl)methyl]-3-bromo-N-methylbenzamide
CID 43458071
4-bromo-N-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 81449756

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-bromo-N-methyl-N-(2-methylpropyl)benzamide (CID 43243440) is 3-bromo-N-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-bromo-N-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-bromo-N-methyl-N-(2-methylpropyl)benzamide is CC(C)CN(C)C(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is VTNDRUBGRRFIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-9(2)8-14(3)12(15)10-5-4-6-11(13)7-10/h4-7,9H,8H2,1-3H3.
What are the key properties of 3-bromo-N-methyl-N-(2-methylpropyl)benzamide?
3-bromo-N-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 270.17 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 43243440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).