N-(2-amino-2-methylpropyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride

C16H20BrClN2O3 — CID 119628540

IUPACN-(2-amino-2-methylpropyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1ccc(COc2ccc(Br)cc2)o1.Cl
InChIInChI=1S/C16H19BrN2O3.ClH/c1-16(2,18)10-19-15(20)14-8-7-13(22-14)9-21-12-5-3-11(17)4-6-12;/h3-8H,9-10,18H2,1-2H3,(H,19,20);1H
InChIKeyTVHIGMJCVUIPDD-UHFFFAOYSA-N
MW403.70 g/mol
LogP3.51
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride

N-(2-amino-2-methylpropyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride (PubChem CID 119628540) has the molecular formula C16H20BrClN2O3 and a molecular weight of 403.70 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride
PubChem CID119628540
Molecular FormulaC16H20BrClN2O3
Molecular Weight403.70 g/mol
Exact Mass402.03
IUPAC NameN-(2-amino-2-methylpropyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1ccc(COc2ccc(Br)cc2)o1.Cl
InChIInChI=1S/C16H19BrN2O3.ClH/c1-16(2,18)10-19-15(20)14-8-7-13(22-14)9-21-12-5-3-11(17)4-6-12;/h3-8H,9-10,18H2,1-2H3,(H,19,20);1H
InChIKeyTVHIGMJCVUIPDD-UHFFFAOYSA-N
XLogP3.51
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.70
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]cyclopentane-1-carboxylate
CID 55775432
5-[(4-bromophenoxy)methyl]-N-[[4-(2-methylpropanoylamino)phenyl]methyl]furan-2-carboxamide
CID 55776259
(2R)-2-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 119369410
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
CID 19323062
N-(1-aminopropan-2-yl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 119583540
5-[(4-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 5104781
5-[(4-bromophenoxy)methyl]-N-(2,5-dimethylphenyl)furan-2-carboxamide
CID 19413541
N-(4-bromo-2-fluorophenyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
CID 19413479
N-tert-butyl-5-[(4-chlorophenoxy)methyl]furan-2-carboxamide
CID 717019
5-[(4-methylphenoxy)methyl]-N-propylfuran-2-carboxamide
CID 2200397
5-[(4-bromophenoxy)methyl]-N-[2-(4-chloropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 19283408
5-[(4-ethylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
CID 19446639

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride (CID 119628540) is N-(2-amino-2-methylpropyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride is CC(C)(N)CNC(=O)c1ccc(COc2ccc(Br)cc2)o1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride?
The InChIKey is TVHIGMJCVUIPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O3.ClH/c1-16(2,18)10-19-15(20)14-8-7-13(22-14)9-21-12-5-3-11(17)4-6-12;/h3-8H,9-10,18H2,1-2H3,(H,19,20);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride?
N-(2-amino-2-methylpropyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride has a molecular weight of 403.70 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119628540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).