N-(2-aminocyclopentyl)-7-bromo-1-benzofuran-2-carboxamide

C14H15BrN2O2 — CID 63251543

IUPACN-(2-aminocyclopentyl)-7-bromo-1-benzofuran-2-carboxamide
SMILESNC1CCCC1NC(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C14H15BrN2O2/c15-9-4-1-3-8-7-12(19-13(8)9)14(18)17-11-6-2-5-10(11)16/h1,3-4,7,10-11H,2,5-6,16H2,(H,17,18)
InChIKeyOZYKKBRYSBHGES-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.80
Rot. Bonds2

About N-(2-aminocyclopentyl)-7-bromo-1-benzofuran-2-carboxamide

N-(2-aminocyclopentyl)-7-bromo-1-benzofuran-2-carboxamide (PubChem CID 63251543) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is N-(2-aminocyclopentyl)-7-bromo-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminocyclopentyl)-7-bromo-1-benzofuran-2-carboxamide
PubChem CID63251543
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC NameN-(2-aminocyclopentyl)-7-bromo-1-benzofuran-2-carboxamide
SMILESNC1CCCC1NC(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C14H15BrN2O2/c15-9-4-1-3-8-7-12(19-13(8)9)14(18)17-11-6-2-5-10(11)16/h1,3-4,7,10-11H,2,5-6,16H2,(H,17,18)
InChIKeyOZYKKBRYSBHGES-UHFFFAOYSA-N
XLogP2.80
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813713
N-(2-aminocyclohexyl)-1-benzofuran-2-carboxamide
CID 61037356
7-bromo-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 38911138
4-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79192686
7-bromo-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-benzofuran-2-carboxamide
CID 111696730
N-[(1R,2R)-2-aminocyclohexyl]-5-bromofuran-2-carboxamide
CID 93452199
7-bromo-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide
CID 106995228
N-[2-(1-benzofuran-2-carbonylamino)cyclohexyl]-1-benzofuran-2-carboxamide
CID 171722189
7-bromo-N-[2-(cyclopropylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62663828
N-(1-benzylpiperidin-4-yl)-7-bromo-1-benzofuran-2-carboxamide
CID 55688262
N-[(1R,2R)-2-aminocyclohexyl]-3-bromo-2-fluorobenzamide
CID 114020422
(3-aminoazetidin-1-yl)-(7-bromo-1-benzofuran-2-yl)methanone
CID 65244577

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopentyl)-7-bromo-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-aminocyclopentyl)-7-bromo-1-benzofuran-2-carboxamide (CID 63251543) is N-(2-aminocyclopentyl)-7-bromo-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-aminocyclopentyl)-7-bromo-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-aminocyclopentyl)-7-bromo-1-benzofuran-2-carboxamide is NC1CCCC1NC(=O)c1cc2cccc(Br)c2o1.
What is the InChIKey of N-(2-aminocyclopentyl)-7-bromo-1-benzofuran-2-carboxamide?
The InChIKey is OZYKKBRYSBHGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c15-9-4-1-3-8-7-12(19-13(8)9)14(18)17-11-6-2-5-10(11)16/h1,3-4,7,10-11H,2,5-6,16H2,(H,17,18).
What are the key properties of N-(2-aminocyclopentyl)-7-bromo-1-benzofuran-2-carboxamide?
N-(2-aminocyclopentyl)-7-bromo-1-benzofuran-2-carboxamide has a molecular weight of 323.19 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopentyl)-7-bromo-1-benzofuran-2-carboxamide is sourced from PubChem (CID 63251543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).