N-[(1R,2R)-2-aminocyclohexyl]-5-bromofuran-2-carboxamide

C11H15BrN2O2 — CID 93452199

IUPACN-[(1R,2R)-2-aminocyclohexyl]-5-bromofuran-2-carboxamide
SMILESN[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C11H15BrN2O2/c12-10-6-5-9(16-10)11(15)14-8-4-2-1-3-7(8)13/h5-8H,1-4,13H2,(H,14,15)/t7-,8-/m1/s1
InChIKeyXSQRONIJPWDYNC-HTQZYQBOSA-N
MW287.16 g/mol
LogP2.04
Rot. Bonds2

About N-[(1R,2R)-2-aminocyclohexyl]-5-bromofuran-2-carboxamide

N-[(1R,2R)-2-aminocyclohexyl]-5-bromofuran-2-carboxamide (PubChem CID 93452199) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-5-bromofuran-2-carboxamide
PubChem CID93452199
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-5-bromofuran-2-carboxamide
SMILESN[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C11H15BrN2O2/c12-10-6-5-9(16-10)11(15)14-8-4-2-1-3-7(8)13/h5-8H,1-4,13H2,(H,14,15)/t7-,8-/m1/s1
InChIKeyXSQRONIJPWDYNC-HTQZYQBOSA-N
XLogP2.04
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(bromomethyl)cyclohexyl]furan-2-carboxamide
CID 106367301
5-bromo-N-cyclododecylfuran-2-carboxamide
CID 2072742
N-(4-aminocyclohexyl)-5-bromofuran-2-carboxamide;hydrochloride
CID 119474938
5-bromo-N-(4-hydroxyoxolan-3-yl)furan-2-carboxamide
CID 130700415
N-(2-aminocyclohexyl)-1-benzofuran-2-carboxamide
CID 61037356
5-bromo-N-cyclopentyloxyfuran-2-carboxamide
CID 83202863
N-[(1R,2R)-2-aminocyclohexyl]-2-(4-bromophenyl)acetamide
CID 93452631
5-bromo-N-(2-methylthiolan-3-yl)furan-2-carboxamide
CID 131142474
N-(2-aminocyclopentyl)-7-bromo-1-benzofuran-2-carboxamide
CID 63251543
N-(2-aminocyclohexyl)-4-methylbenzamide
CID 61037352
1-[(5-bromofuran-2-carbonyl)amino]-3-cyclohexylurea
CID 4678581
5-bromo-N-(2,2-dimethylcyclohexyl)furan-2-carboxamide
CID 79879003

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-5-bromofuran-2-carboxamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-5-bromofuran-2-carboxamide (CID 93452199) is N-[(1R,2R)-2-aminocyclohexyl]-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-5-bromofuran-2-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-5-bromofuran-2-carboxamide is N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Br)o1.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-5-bromofuran-2-carboxamide?
The InChIKey is XSQRONIJPWDYNC-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c12-10-6-5-9(16-10)11(15)14-8-4-2-1-3-7(8)13/h5-8H,1-4,13H2,(H,14,15)/t7-,8-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-5-bromofuran-2-carboxamide?
N-[(1R,2R)-2-aminocyclohexyl]-5-bromofuran-2-carboxamide has a molecular weight of 287.16 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]-5-bromofuran-2-carboxamide is sourced from PubChem (CID 93452199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).