3-bromo-4-methoxy-N-(2-methylcyclopropyl)benzamide

C12H14BrNO2 — CID 55210410

IUPAC3-bromo-4-methoxy-N-(2-methylcyclopropyl)benzamide
SMILESCOc1ccc(C(=O)NC2CC2C)cc1Br
InChIInChI=1S/C12H14BrNO2/c1-7-5-10(7)14-12(15)8-3-4-11(16-2)9(13)6-8/h3-4,6-7,10H,5H2,1-2H3,(H,14,15)
InChIKeyVETJSVBNJXTFFW-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.60
Rot. Bonds3

About 3-bromo-4-methoxy-N-(2-methylcyclopropyl)benzamide

3-bromo-4-methoxy-N-(2-methylcyclopropyl)benzamide (PubChem CID 55210410) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-(2-methylcyclopropyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-(2-methylcyclopropyl)benzamide
PubChem CID55210410
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name3-bromo-4-methoxy-N-(2-methylcyclopropyl)benzamide
SMILESCOc1ccc(C(=O)NC2CC2C)cc1Br
InChIInChI=1S/C12H14BrNO2/c1-7-5-10(7)14-12(15)8-3-4-11(16-2)9(13)6-8/h3-4,6-7,10H,5H2,1-2H3,(H,14,15)
InChIKeyVETJSVBNJXTFFW-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminocyclopropyl)-3-bromo-4-methoxybenzamide
CID 61033826
3-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-methoxybenzamide
CID 64923164
3-bromo-4-methoxy-N-(2-methoxycyclopentyl)benzamide
CID 62086482
3-bromo-4-methoxy-N-(2-methylpiperidin-3-yl)benzamide
CID 114694855
3-[(3-bromo-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044376
3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-methoxybenzamide
CID 114629941
3-bromo-4-methoxy-N-(1-oxothian-4-yl)benzamide
CID 113429210
6-bromo-N-(2-methylcyclopropyl)naphthalene-2-carboxamide
CID 113278363
3-bromo-4-methoxy-N'-methylbenzohydrazide
CID 116846856
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
3-bromo-4-methoxy-N',N'-dimethylbenzohydrazide
CID 78911956

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-(2-methylcyclopropyl)benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-(2-methylcyclopropyl)benzamide (CID 55210410) is 3-bromo-4-methoxy-N-(2-methylcyclopropyl)benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-(2-methylcyclopropyl)benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-(2-methylcyclopropyl)benzamide is COc1ccc(C(=O)NC2CC2C)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-(2-methylcyclopropyl)benzamide?
The InChIKey is VETJSVBNJXTFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-7-5-10(7)14-12(15)8-3-4-11(16-2)9(13)6-8/h3-4,6-7,10H,5H2,1-2H3,(H,14,15).
What are the key properties of 3-bromo-4-methoxy-N-(2-methylcyclopropyl)benzamide?
3-bromo-4-methoxy-N-(2-methylcyclopropyl)benzamide has a molecular weight of 284.15 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-(2-methylcyclopropyl)benzamide is sourced from PubChem (CID 55210410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).