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

C14H18BrNO3 — CID 62086482

IUPAC3-bromo-4-methoxy-N-(2-methoxycyclopentyl)benzamide
SMILESCOc1ccc(C(=O)NC2CCCC2OC)cc1Br
InChIInChI=1S/C14H18BrNO3/c1-18-12-7-6-9(8-10(12)15)14(17)16-11-4-3-5-13(11)19-2/h6-8,11,13H,3-5H2,1-2H3,(H,16,17)
InChIKeyLAGWSXADWHOINL-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.76
Rot. Bonds4

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

3-bromo-4-methoxy-N-(2-methoxycyclopentyl)benzamide (PubChem CID 62086482) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-(2-methoxycyclopentyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-(2-methoxycyclopentyl)benzamide
PubChem CID62086482
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name3-bromo-4-methoxy-N-(2-methoxycyclopentyl)benzamide
SMILESCOc1ccc(C(=O)NC2CCCC2OC)cc1Br
InChIInChI=1S/C14H18BrNO3/c1-18-12-7-6-9(8-10(12)15)14(17)16-11-4-3-5-13(11)19-2/h6-8,11,13H,3-5H2,1-2H3,(H,16,17)
InChIKeyLAGWSXADWHOINL-UHFFFAOYSA-N
XLogP2.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-methoxy-N-(2-methoxycyclopentyl)benzamide
CID 62088894
3-amino-4-bromo-N-(2-methoxycyclopentyl)benzamide
CID 62087821
3-bromo-4-methoxy-N-(2-methylcyclopropyl)benzamide
CID 55210410
3-bromo-4-methoxy-N-(2-methylpiperidin-3-yl)benzamide
CID 114694855
N-(2-aminocyclopropyl)-3-bromo-4-methoxybenzamide
CID 61033826
4-hydroxy-N-(2-methoxycyclopentyl)benzamide
CID 62087188
3-[(3-bromo-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044376
3-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-methoxybenzamide
CID 64923164
3-amino-N-(2-methoxycyclopentyl)benzamide
CID 62086745
N-(2-methoxycyclopentyl)-1H-indole-5-carboxamide
CID 55236061
3-bromo-4-methoxy-N-(1-oxothian-4-yl)benzamide
CID 113429210
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-(2-methoxycyclopentyl)benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-(2-methoxycyclopentyl)benzamide (CID 62086482) is 3-bromo-4-methoxy-N-(2-methoxycyclopentyl)benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-(2-methoxycyclopentyl)benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-(2-methoxycyclopentyl)benzamide is COc1ccc(C(=O)NC2CCCC2OC)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-(2-methoxycyclopentyl)benzamide?
The InChIKey is LAGWSXADWHOINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-18-12-7-6-9(8-10(12)15)14(17)16-11-4-3-5-13(11)19-2/h6-8,11,13H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 3-bromo-4-methoxy-N-(2-methoxycyclopentyl)benzamide?
3-bromo-4-methoxy-N-(2-methoxycyclopentyl)benzamide has a molecular weight of 328.21 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-(2-methoxycyclopentyl)benzamide is sourced from PubChem (CID 62086482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).