N-(2-amino-1-cyclopropylethyl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride

C17H20BrClN2O3 — CID 119616986

IUPACN-(2-amino-1-cyclopropylethyl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1ccc(COc2cccc(Br)c2)o1)C1CC1
InChIInChI=1S/C17H19BrN2O3.ClH/c18-12-2-1-3-13(8-12)22-10-14-6-7-16(23-14)17(21)20-15(9-19)11-4-5-11;/h1-3,6-8,11,15H,4-5,9-10,19H2,(H,20,21);1H
InChIKeyARYYNCMCHZHKBC-UHFFFAOYSA-N
MW415.72 g/mol
LogP3.51
Rot. Bonds7

About N-(2-amino-1-cyclopropylethyl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride (PubChem CID 119616986) has the molecular formula C17H20BrClN2O3 and a molecular weight of 415.72 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride
PubChem CID119616986
Molecular FormulaC17H20BrClN2O3
Molecular Weight415.72 g/mol
Exact Mass414.03
IUPAC NameN-(2-amino-1-cyclopropylethyl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1ccc(COc2cccc(Br)c2)o1)C1CC1
InChIInChI=1S/C17H19BrN2O3.ClH/c18-12-2-1-3-13(8-12)22-10-14-6-7-16(23-14)17(21)20-15(9-19)11-4-5-11;/h1-3,6-8,11,15H,4-5,9-10,19H2,(H,20,21);1H
InChIKeyARYYNCMCHZHKBC-UHFFFAOYSA-N
XLogP3.51
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.72
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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[2-(aminomethyl)pyrrolidin-1-yl]-[5-[(3-bromophenoxy)methyl]furan-2-yl]methanone;hydrochloride
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5-[(3-bromophenoxy)methyl]-N-[phenyl(pyridin-4-yl)methyl]furan-2-carboxamide
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[2-(aminomethyl)piperidin-1-yl]-[5-[(3-bromophenoxy)methyl]furan-2-yl]methanone;hydrochloride
CID 119469178
[5-[(3-bromophenoxy)methyl]furan-2-yl]methanamine
CID 62459720
5-[(3-bromophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride
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[5-[(3-bromophenoxy)methyl]furan-2-yl]-[4-(methylamino)piperidin-1-yl]methanone
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5-[(3-bromophenoxy)methyl]-N-(1-methylpyrazol-4-yl)furan-2-carboxamide
CID 60508098
N-(2-amino-1-cyclopentylethyl)-5-bromofuran-2-carboxamide
CID 106737570
methyl 2-[4-[[5-[(3-bromophenoxy)methyl]furan-2-carbonyl]amino]phenoxy]acetate
CID 55779946
[1-[5-[(3-bromophenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55773113

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride (CID 119616986) is N-(2-amino-1-cyclopropylethyl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride is Cl.NCC(NC(=O)c1ccc(COc2cccc(Br)c2)o1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride?
The InChIKey is ARYYNCMCHZHKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3.ClH/c18-12-2-1-3-13(8-12)22-10-14-6-7-16(23-14)17(21)20-15(9-19)11-4-5-11;/h1-3,6-8,11,15H,4-5,9-10,19H2,(H,20,21);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride has a molecular weight of 415.72 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119616986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).