2-bromo-N-cyclopropyl-5-methoxy-N-methylbenzamide

C12H14BrNO2 — CID 55026519

IUPAC2-bromo-N-cyclopropyl-5-methoxy-N-methylbenzamide
SMILESCOc1ccc(Br)c(C(=O)N(C)C2CC2)c1
InChIInChI=1S/C12H14BrNO2/c1-14(8-3-4-8)12(15)10-7-9(16-2)5-6-11(10)13/h5-8H,3-4H2,1-2H3
InChIKeyJJDRBOVBBKRKRR-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.69
Rot. Bonds3

About 2-bromo-N-cyclopropyl-5-methoxy-N-methylbenzamide

2-bromo-N-cyclopropyl-5-methoxy-N-methylbenzamide (PubChem CID 55026519) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-5-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-5-methoxy-N-methylbenzamide
PubChem CID55026519
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name2-bromo-N-cyclopropyl-5-methoxy-N-methylbenzamide
SMILESCOc1ccc(Br)c(C(=O)N(C)C2CC2)c1
InChIInChI=1S/C12H14BrNO2/c1-14(8-3-4-8)12(15)10-7-9(16-2)5-6-11(10)13/h5-8H,3-4H2,1-2H3
InChIKeyJJDRBOVBBKRKRR-UHFFFAOYSA-N
XLogP2.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(2-chloroethyl)-N-cyclopentyl-5-methoxybenzamide
CID 63391871
2,5-dibromo-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 114374499
2-bromo-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide
CID 114027530
N-(4-aminocyclohexyl)-2-fluoro-4-methoxy-N-methylbenzamide
CID 103807666
2-bromo-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide
CID 34576891
2-bromo-5-methoxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 79715879
2-bromo-N-(4,4-dimethylcyclohexyl)-N,5-dimethylbenzamide
CID 81110329
2-bromo-5-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 24705868
2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 60745117
2-bromo-N-(4-ethylcyclohexyl)-N-methyl-5-sulfanylbenzamide
CID 107024800
2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300965
2-bromo-5-fluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444450

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-5-methoxy-N-methylbenzamide?
The IUPAC name of 2-bromo-N-cyclopropyl-5-methoxy-N-methylbenzamide (CID 55026519) is 2-bromo-N-cyclopropyl-5-methoxy-N-methylbenzamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-5-methoxy-N-methylbenzamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-5-methoxy-N-methylbenzamide is COc1ccc(Br)c(C(=O)N(C)C2CC2)c1.
What is the InChIKey of 2-bromo-N-cyclopropyl-5-methoxy-N-methylbenzamide?
The InChIKey is JJDRBOVBBKRKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-14(8-3-4-8)12(15)10-7-9(16-2)5-6-11(10)13/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-bromo-N-cyclopropyl-5-methoxy-N-methylbenzamide?
2-bromo-N-cyclopropyl-5-methoxy-N-methylbenzamide has a molecular weight of 284.15 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-5-methoxy-N-methylbenzamide is sourced from PubChem (CID 55026519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).