4-bromo-2-methoxy-N-(2-propylcyclopropyl)benzamide

C14H18BrNO2 — CID 113246081

IUPAC4-bromo-2-methoxy-N-(2-propylcyclopropyl)benzamide
SMILESCCCC1CC1NC(=O)c1ccc(Br)cc1OC
InChIInChI=1S/C14H18BrNO2/c1-3-4-9-7-12(9)16-14(17)11-6-5-10(15)8-13(11)18-2/h5-6,8-9,12H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyOPYYANZAMGDRHV-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.38
Rot. Bonds5

About 4-bromo-2-methoxy-N-(2-propylcyclopropyl)benzamide

4-bromo-2-methoxy-N-(2-propylcyclopropyl)benzamide (PubChem CID 113246081) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 4-bromo-2-methoxy-N-(2-propylcyclopropyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-methoxy-N-(2-propylcyclopropyl)benzamide
PubChem CID113246081
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name4-bromo-2-methoxy-N-(2-propylcyclopropyl)benzamide
SMILESCCCC1CC1NC(=O)c1ccc(Br)cc1OC
InChIInChI=1S/C14H18BrNO2/c1-3-4-9-7-12(9)16-14(17)11-6-5-10(15)8-13(11)18-2/h5-6,8-9,12H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyOPYYANZAMGDRHV-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[2-(bromomethyl)cyclohexyl]-2-methoxybenzamide
CID 106367431
2-fluoro-4-methoxy-N-(2-propylcyclopropyl)benzamide
CID 103713574
4-bromo-N-(2,3-dimethylcyclopentyl)-2-methoxybenzamide
CID 115369291
4-bromo-N-(3,5-dimethylcyclohexyl)-2-methoxybenzamide
CID 115369287
2-[(4-bromo-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 115368665
2-[(4-bromo-2-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 115368666
4-bromo-N-(3-ethylcyclohexyl)-2-methoxybenzamide
CID 115369289
2-hydroxy-5-methyl-N-(2-propylcyclopropyl)benzamide
CID 113246155
N-(1-acetylpiperidin-4-yl)-4-bromo-2-methoxybenzamide
CID 78988011
4-bromo-2-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 78987462
N-acetyl-4-bromo-2-methoxybenzamide
CID 115369201
2-methoxy-5-[[(1S,2S)-2-(methoxymethyl)cyclopropyl]carbamoyl]-4-methylbenzoic acid
CID 167912283

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-N-(2-propylcyclopropyl)benzamide?
The IUPAC name of 4-bromo-2-methoxy-N-(2-propylcyclopropyl)benzamide (CID 113246081) is 4-bromo-2-methoxy-N-(2-propylcyclopropyl)benzamide.
What is the SMILES notation for 4-bromo-2-methoxy-N-(2-propylcyclopropyl)benzamide?
The canonical SMILES for 4-bromo-2-methoxy-N-(2-propylcyclopropyl)benzamide is CCCC1CC1NC(=O)c1ccc(Br)cc1OC.
What is the InChIKey of 4-bromo-2-methoxy-N-(2-propylcyclopropyl)benzamide?
The InChIKey is OPYYANZAMGDRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-3-4-9-7-12(9)16-14(17)11-6-5-10(15)8-13(11)18-2/h5-6,8-9,12H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 4-bromo-2-methoxy-N-(2-propylcyclopropyl)benzamide?
4-bromo-2-methoxy-N-(2-propylcyclopropyl)benzamide has a molecular weight of 312.21 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-N-(2-propylcyclopropyl)benzamide is sourced from PubChem (CID 113246081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).