N-(4-aminocyclohexyl)-5-bromofuran-2-carboxamide;hydrochloride

C11H16BrClN2O2 — CID 119474938

IUPACN-(4-aminocyclohexyl)-5-bromofuran-2-carboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C11H15BrN2O2.ClH/c12-10-6-5-9(16-10)11(15)14-8-3-1-7(13)2-4-8;/h5-8H,1-4,13H2,(H,14,15);1H
InChIKeyFQONRKJMMJOHCQ-UHFFFAOYSA-N
MW323.62 g/mol
LogP2.46
Rot. Bonds2

About N-(4-aminocyclohexyl)-5-bromofuran-2-carboxamide;hydrochloride

N-(4-aminocyclohexyl)-5-bromofuran-2-carboxamide;hydrochloride (PubChem CID 119474938) has the molecular formula C11H16BrClN2O2 and a molecular weight of 323.62 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-bromofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-bromofuran-2-carboxamide;hydrochloride
PubChem CID119474938
Molecular FormulaC11H16BrClN2O2
Molecular Weight323.62 g/mol
Exact Mass322.01
IUPAC NameN-(4-aminocyclohexyl)-5-bromofuran-2-carboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C11H15BrN2O2.ClH/c12-10-6-5-9(16-10)11(15)14-8-3-1-7(13)2-4-8;/h5-8H,1-4,13H2,(H,14,15);1H
InChIKeyFQONRKJMMJOHCQ-UHFFFAOYSA-N
XLogP2.46
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.62
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[4-[[4-[(5-bromofuran-2-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]furan-2-carboxamide
CID 1083377
5-bromo-N-cyclododecylfuran-2-carboxamide
CID 2072742
methyl 4-[(5-bromofuran-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 112690033
5-bromo-N-(1-cyclopropylpiperidin-4-yl)furan-2-carboxamide
CID 60730594
5-bromo-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 51299744
5-bromo-N-[4-(2-methylbutan-2-yl)cyclohexyl]furan-2-carboxamide
CID 18272889
N-(4-aminocyclohexyl)-5-phenoxyfuran-2-carboxamide;hydrochloride
CID 119476761
N-[(1R,2R)-2-aminocyclohexyl]-5-bromofuran-2-carboxamide
CID 93452199
5-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 38198333
4-[(5-bromofuran-2-carbonyl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108560310
5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)furan-2-carboxamide
CID 103966929
1-[(5-bromofuran-2-carbonyl)amino]-3-cyclohexylurea
CID 4678581

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-bromofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-5-bromofuran-2-carboxamide;hydrochloride (CID 119474938) is N-(4-aminocyclohexyl)-5-bromofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-bromofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-5-bromofuran-2-carboxamide;hydrochloride is Cl.NC1CCC(NC(=O)c2ccc(Br)o2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-5-bromofuran-2-carboxamide;hydrochloride?
The InChIKey is FQONRKJMMJOHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2.ClH/c12-10-6-5-9(16-10)11(15)14-8-3-1-7(13)2-4-8;/h5-8H,1-4,13H2,(H,14,15);1H.
What are the key properties of N-(4-aminocyclohexyl)-5-bromofuran-2-carboxamide;hydrochloride?
N-(4-aminocyclohexyl)-5-bromofuran-2-carboxamide;hydrochloride has a molecular weight of 323.62 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-5-bromofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119474938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).