3-bromo-2-methyl-N-propan-2-yloxybenzamide

C11H14BrNO2 — CID 131020955

IUPAC3-bromo-2-methyl-N-propan-2-yloxybenzamide
SMILESCc1c(Br)cccc1C(=O)NOC(C)C
InChIInChI=1S/C11H14BrNO2/c1-7(2)15-13-11(14)9-5-4-6-10(12)8(9)3/h4-7H,1-3H3,(H,13,14)
InChIKeyNTRPTPGEZNBEBR-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.83
Rot. Bonds3

About 3-bromo-2-methyl-N-propan-2-yloxybenzamide

3-bromo-2-methyl-N-propan-2-yloxybenzamide (PubChem CID 131020955) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 3-bromo-2-methyl-N-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-bromo-2-methyl-N-propan-2-yloxybenzamide
PubChem CID131020955
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name3-bromo-2-methyl-N-propan-2-yloxybenzamide
SMILESCc1c(Br)cccc1C(=O)NOC(C)C
InChIInChI=1S/C11H14BrNO2/c1-7(2)15-13-11(14)9-5-4-6-10(12)8(9)3/h4-7H,1-3H3,(H,13,14)
InChIKeyNTRPTPGEZNBEBR-UHFFFAOYSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-2-methyl-N-(2-methylpropoxy)benzamide
CID 115409669
2-fluoro-3-methyl-N-propan-2-yloxybenzamide
CID 130778652
(2S)-2-[(3-bromo-2-methylbenzoyl)amino]propanoic acid
CID 79010315
3-bromo-N-(2-bromopropyl)-2-methylbenzamide
CID 114308590
3-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-methylbenzamide
CID 107575045
3-bromo-N-(2-chloroprop-2-enyl)-2-methylbenzamide
CID 115659974
N-(1-amino-2,3-dimethylbutan-2-yl)-3-bromo-2-methylbenzamide;hydrochloride
CID 119607831
[(3-bromo-2-methylbenzoyl)amino] 2-[(2-methylpropan-2-yl)oxy]acetate
CID 175156167
3-bromo-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 81485364
3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-2-methylbenzamide
CID 103274844
N-(1-amino-2,4-dimethylpentan-2-yl)-3-bromo-2-methylbenzamide
CID 81485460
3-bromo-N-(4-bromopentyl)-2-methylbenzamide
CID 106130435

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-N-propan-2-yloxybenzamide?
The IUPAC name of 3-bromo-2-methyl-N-propan-2-yloxybenzamide (CID 131020955) is 3-bromo-2-methyl-N-propan-2-yloxybenzamide.
What is the SMILES notation for 3-bromo-2-methyl-N-propan-2-yloxybenzamide?
The canonical SMILES for 3-bromo-2-methyl-N-propan-2-yloxybenzamide is Cc1c(Br)cccc1C(=O)NOC(C)C.
What is the InChIKey of 3-bromo-2-methyl-N-propan-2-yloxybenzamide?
The InChIKey is NTRPTPGEZNBEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-7(2)15-13-11(14)9-5-4-6-10(12)8(9)3/h4-7H,1-3H3,(H,13,14).
What are the key properties of 3-bromo-2-methyl-N-propan-2-yloxybenzamide?
3-bromo-2-methyl-N-propan-2-yloxybenzamide has a molecular weight of 272.14 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-N-propan-2-yloxybenzamide is sourced from PubChem (CID 131020955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).