N-(1-aminopropan-2-yl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride

C16H20BrClN2O3 — CID 119583540

IUPACN-(1-aminopropan-2-yl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride
SMILESCC(CN)N(C)C(=O)c1ccc(COc2ccc(Br)cc2)o1.Cl
InChIInChI=1S/C16H19BrN2O3.ClH/c1-11(9-18)19(2)16(20)15-8-7-14(22-15)10-21-13-5-3-12(17)4-6-13;/h3-8,11H,9-10,18H2,1-2H3;1H
InChIKeyGFPQQFDQEVTBBE-UHFFFAOYSA-N
MW403.70 g/mol
LogP3.46
Rot. Bonds6

About N-(1-aminopropan-2-yl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride

N-(1-aminopropan-2-yl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride (PubChem CID 119583540) has the molecular formula C16H20BrClN2O3 and a molecular weight of 403.70 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride
PubChem CID119583540
Molecular FormulaC16H20BrClN2O3
Molecular Weight403.70 g/mol
Exact Mass402.03
IUPAC NameN-(1-aminopropan-2-yl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride
SMILESCC(CN)N(C)C(=O)c1ccc(COc2ccc(Br)cc2)o1.Cl
InChIInChI=1S/C16H19BrN2O3.ClH/c1-11(9-18)19(2)16(20)15-8-7-14(22-15)10-21-13-5-3-12(17)4-6-13;/h3-8,11H,9-10,18H2,1-2H3;1H
InChIKeyGFPQQFDQEVTBBE-UHFFFAOYSA-N
XLogP3.46
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.70
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-bromophenoxy)methyl]-N-cyclopropyl-N-(3-methylbutan-2-yl)furan-2-carboxamide
CID 55775045
5-[(4-bromophenoxy)methyl]-N-cyclohexyl-N-methylfuran-2-carboxamide
CID 55772175
N-(2-amino-2-methylpropyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride
CID 119628540
5-[(4-bromophenoxy)methyl]-N-methyl-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 47047134
2-[[5-[(3-bromophenoxy)methyl]furan-2-carbonyl]-methylamino]propanoic acid
CID 119209498
N-methyl-5-[(4-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 42943143
ethyl 2-amino-3-[5-[(4-bromophenoxy)methyl]furan-2-yl]propanoate
CID 170885387
(2R)-2-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 119369410
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 19451903
5-[(4-bromophenoxy)methyl]-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methylfuran-2-carboxamide
CID 102557908
5-[(4-bromophenoxy)methyl]-N-[[4-(2-methylpropanoylamino)phenyl]methyl]furan-2-carboxamide
CID 55776259
N-(1-aminopropan-2-yl)-2-(4-bromophenoxy)-N-methylpropanamide
CID 119584955

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride (CID 119583540) is N-(1-aminopropan-2-yl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride is CC(CN)N(C)C(=O)c1ccc(COc2ccc(Br)cc2)o1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride?
The InChIKey is GFPQQFDQEVTBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O3.ClH/c1-11(9-18)19(2)16(20)15-8-7-14(22-15)10-21-13-5-3-12(17)4-6-13;/h3-8,11H,9-10,18H2,1-2H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride?
N-(1-aminopropan-2-yl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride has a molecular weight of 403.70 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119583540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).