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

C13H17BrN2O2 — CID 62087821

IUPAC3-amino-4-bromo-N-(2-methoxycyclopentyl)benzamide
SMILESCOC1CCCC1NC(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C13H17BrN2O2/c1-18-12-4-2-3-11(12)16-13(17)8-5-6-9(14)10(15)7-8/h5-7,11-12H,2-4,15H2,1H3,(H,16,17)
InChIKeyYWNRUOOCKPCVFV-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.33
Rot. Bonds3

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

3-amino-4-bromo-N-(2-methoxycyclopentyl)benzamide (PubChem CID 62087821) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(2-methoxycyclopentyl)benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(2-methoxycyclopentyl)benzamide
PubChem CID62087821
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name3-amino-4-bromo-N-(2-methoxycyclopentyl)benzamide
SMILESCOC1CCCC1NC(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C13H17BrN2O2/c1-18-12-4-2-3-11(12)16-13(17)8-5-6-9(14)10(15)7-8/h5-7,11-12H,2-4,15H2,1H3,(H,16,17)
InChIKeyYWNRUOOCKPCVFV-UHFFFAOYSA-N
XLogP2.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-methoxy-N-(2-methoxycyclopentyl)benzamide
CID 62088894
3-bromo-4-methoxy-N-(2-methoxycyclopentyl)benzamide
CID 62086482
3-amino-N-(2-methoxycyclopentyl)benzamide
CID 62086745
4-hydroxy-N-(2-methoxycyclopentyl)benzamide
CID 62087188
2-amino-N-(2-methoxycyclopentyl)benzamide
CID 62086922
2-amino-5-fluoro-N-(2-methoxycyclopentyl)benzamide
CID 62086919
N-(2-methoxycyclopentyl)-1H-indole-5-carboxamide
CID 55236061
5-iodo-N-(2-methoxycyclopentyl)thiophene-3-carboxamide
CID 79692869
3-cyano-N-(2-methoxycyclopentyl)benzamide
CID 62088957
N-(2-methoxycyclopentyl)-3-methyl-5-sulfamoylbenzamide
CID 65388634
4-amino-N-(2-methoxycyclopentyl)pyridine-2-carboxamide
CID 62159962
3-amino-5-ethoxy-N-(2-methoxycyclopentyl)benzamide
CID 81090807

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(2-methoxycyclopentyl)benzamide?
The IUPAC name of 3-amino-4-bromo-N-(2-methoxycyclopentyl)benzamide (CID 62087821) is 3-amino-4-bromo-N-(2-methoxycyclopentyl)benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-(2-methoxycyclopentyl)benzamide?
The canonical SMILES for 3-amino-4-bromo-N-(2-methoxycyclopentyl)benzamide is COC1CCCC1NC(=O)c1ccc(Br)c(N)c1.
What is the InChIKey of 3-amino-4-bromo-N-(2-methoxycyclopentyl)benzamide?
The InChIKey is YWNRUOOCKPCVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-18-12-4-2-3-11(12)16-13(17)8-5-6-9(14)10(15)7-8/h5-7,11-12H,2-4,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-4-bromo-N-(2-methoxycyclopentyl)benzamide?
3-amino-4-bromo-N-(2-methoxycyclopentyl)benzamide has a molecular weight of 313.19 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-(2-methoxycyclopentyl)benzamide is sourced from PubChem (CID 62087821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).