4-bromo-N-methyl-2-propan-2-ylbenzamide

C11H14BrNO — CID 146035002

IUPAC4-bromo-N-methyl-2-propan-2-ylbenzamide
SMILESCNC(=O)c1ccc(Br)cc1C(C)C
InChIInChI=1S/C11H14BrNO/c1-7(2)10-6-8(12)4-5-9(10)11(14)13-3/h4-7H,1-3H3,(H,13,14)
InChIKeyIBDAHJNYIJZRCN-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.93
Rot. Bonds2

About 4-bromo-N-methyl-2-propan-2-ylbenzamide

4-bromo-N-methyl-2-propan-2-ylbenzamide (PubChem CID 146035002) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 4-bromo-N-methyl-2-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-bromo-N-methyl-2-propan-2-ylbenzamide
PubChem CID146035002
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name4-bromo-N-methyl-2-propan-2-ylbenzamide
SMILESCNC(=O)c1ccc(Br)cc1C(C)C
InChIInChI=1S/C11H14BrNO/c1-7(2)10-6-8(12)4-5-9(10)11(14)13-3/h4-7H,1-3H3,(H,13,14)
InChIKeyIBDAHJNYIJZRCN-UHFFFAOYSA-N
XLogP2.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dibromo-N-methylbenzamide
CID 54214948
5-bromo-N-methyl-2-(methylamino)benzamide
CID 130751837
4-bromo-2-(difluoromethoxy)-N-methylbenzamide
CID 170995658
4-bromo-N-methoxy-N-methyl-2-propan-2-ylbenzamide
CID 146287487
2-(1-aminoethyl)-4-bromobenzamide
CID 70087597
5-fluoro-N-methyl-2-propan-2-ylbenzamide
CID 154975628
3-amino-2-(5-bromo-2-propan-2-ylphenyl)propanoic acid
CID 84813600
5-bromo-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 140559964
5-bromo-2-(difluoromethoxy)-N-methylbenzamide
CID 59703438
2,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 114372008
N-(4-bromo-2-propan-2-ylphenyl)-2-methylbenzamide
CID 804702
4-bromo-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide
CID 26688276

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-2-propan-2-ylbenzamide?
The IUPAC name of 4-bromo-N-methyl-2-propan-2-ylbenzamide (CID 146035002) is 4-bromo-N-methyl-2-propan-2-ylbenzamide.
What is the SMILES notation for 4-bromo-N-methyl-2-propan-2-ylbenzamide?
The canonical SMILES for 4-bromo-N-methyl-2-propan-2-ylbenzamide is CNC(=O)c1ccc(Br)cc1C(C)C.
What is the InChIKey of 4-bromo-N-methyl-2-propan-2-ylbenzamide?
The InChIKey is IBDAHJNYIJZRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-7(2)10-6-8(12)4-5-9(10)11(14)13-3/h4-7H,1-3H3,(H,13,14).
What are the key properties of 4-bromo-N-methyl-2-propan-2-ylbenzamide?
4-bromo-N-methyl-2-propan-2-ylbenzamide has a molecular weight of 256.14 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-2-propan-2-ylbenzamide is sourced from PubChem (CID 146035002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).