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

C12H16BrNO2 — CID 115409669

IUPAC3-bromo-2-methyl-N-(2-methylpropoxy)benzamide
SMILESCc1c(Br)cccc1C(=O)NOCC(C)C
InChIInChI=1S/C12H16BrNO2/c1-8(2)7-16-14-12(15)10-5-4-6-11(13)9(10)3/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyNZRSYXJYEOOMCA-UHFFFAOYSA-N
MW286.17 g/mol
LogP3.07
Rot. Bonds4

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

3-bromo-2-methyl-N-(2-methylpropoxy)benzamide (PubChem CID 115409669) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 3-bromo-2-methyl-N-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name3-bromo-2-methyl-N-(2-methylpropoxy)benzamide
PubChem CID115409669
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name3-bromo-2-methyl-N-(2-methylpropoxy)benzamide
SMILESCc1c(Br)cccc1C(=O)NOCC(C)C
InChIInChI=1S/C12H16BrNO2/c1-8(2)7-16-14-12(15)10-5-4-6-11(13)9(10)3/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyNZRSYXJYEOOMCA-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
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-propan-2-yloxybenzamide
CID 131020955
2,3-dihydroxy-N-(2-methylpropoxy)benzamide
CID 114344886
3-bromo-N-(2-bromopropyl)-2-methylbenzamide
CID 114308590
N-(1-amino-2,4-dimethylpentan-2-yl)-3-bromo-2-methylbenzamide
CID 81485460
3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-2-methylbenzamide
CID 103274844
(2S)-2-[(3-bromo-2-methylbenzoyl)amino]propanoic acid
CID 79010315
2-(ethylamino)-N-(2-methylpropoxy)benzamide
CID 82723063
2-[(3-bromo-2-methylbenzoyl)amino]-3-methoxypropanoic acid
CID 81077282
N-(2-methylpropoxy)quinoxaline-5-carboxamide
CID 104578317
4-bromo-N-(2-methylpropoxy)benzamide
CID 115410038
2-methyl-N-(2-methylpropoxy)furan-3-carboxamide
CID 115409998
3-bromo-N-(2-chloroprop-2-enyl)-2-methylbenzamide
CID 115659974

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-N-(2-methylpropoxy)benzamide?
The IUPAC name of 3-bromo-2-methyl-N-(2-methylpropoxy)benzamide (CID 115409669) is 3-bromo-2-methyl-N-(2-methylpropoxy)benzamide.
What is the SMILES notation for 3-bromo-2-methyl-N-(2-methylpropoxy)benzamide?
The canonical SMILES for 3-bromo-2-methyl-N-(2-methylpropoxy)benzamide is Cc1c(Br)cccc1C(=O)NOCC(C)C.
What is the InChIKey of 3-bromo-2-methyl-N-(2-methylpropoxy)benzamide?
The InChIKey is NZRSYXJYEOOMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-8(2)7-16-14-12(15)10-5-4-6-11(13)9(10)3/h4-6,8H,7H2,1-3H3,(H,14,15).
What are the key properties of 3-bromo-2-methyl-N-(2-methylpropoxy)benzamide?
3-bromo-2-methyl-N-(2-methylpropoxy)benzamide has a molecular weight of 286.17 g/mol, XLogP of 3.07, 4 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-(2-methylpropoxy)benzamide is sourced from PubChem (CID 115409669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).