N-(3-bromo-4-methoxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

C15H19BrN2O2 — CID 102893248

IUPACN-(3-bromo-4-methoxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCOc1ccc(NC(=O)C2NCC3CCCC32)cc1Br
InChIInChI=1S/C15H19BrN2O2/c1-20-13-6-5-10(7-12(13)16)18-15(19)14-11-4-2-3-9(11)8-17-14/h5-7,9,11,14,17H,2-4,8H2,1H3,(H,18,19)
InChIKeyZGJFWICUNBZVCB-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.78
Rot. Bonds3

About N-(3-bromo-4-methoxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

N-(3-bromo-4-methoxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (PubChem CID 102893248) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is N-(3-bromo-4-methoxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
PubChem CID102893248
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC NameN-(3-bromo-4-methoxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCOc1ccc(NC(=O)C2NCC3CCCC32)cc1Br
InChIInChI=1S/C15H19BrN2O2/c1-20-13-6-5-10(7-12(13)16)18-15(19)14-11-4-2-3-9(11)8-17-14/h5-7,9,11,14,17H,2-4,8H2,1H3,(H,18,19)
InChIKeyZGJFWICUNBZVCB-UHFFFAOYSA-N
XLogP2.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxy-3-methylphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892744
N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide
CID 110776805
methyl 3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)benzoate
CID 102892643
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)-2-methylbenzoic acid
CID 102893095
9-amino-N-(3-bromo-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120989691
N-(3-fluoro-4-hydroxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893200
N-(3-chloro-4-hydroxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 107680055
N-[4-(dimethylamino)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890746
N-(3-chloro-4-fluorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890479
N-(4-carbamoyl-3-chlorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891367
N-(3-bromo-4-methoxyphenyl)-4-hydroxycyclohexane-1-carboxamide
CID 115150743
N-[(2-methoxyphenyl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890133

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of N-(3-bromo-4-methoxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (CID 102893248) is N-(3-bromo-4-methoxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methoxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for N-(3-bromo-4-methoxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is COc1ccc(NC(=O)C2NCC3CCCC32)cc1Br.
What is the InChIKey of N-(3-bromo-4-methoxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is ZGJFWICUNBZVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-20-13-6-5-10(7-12(13)16)18-15(19)14-11-4-2-3-9(11)8-17-14/h5-7,9,11,14,17H,2-4,8H2,1H3,(H,18,19).
What are the key properties of N-(3-bromo-4-methoxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
N-(3-bromo-4-methoxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 102893248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).