N-(1-amino-2-cyclopropylpropan-2-yl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide

C18H21BrN2O3 — CID 119575372

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide
SMILESCC(CN)(NC(=O)c1ccc(COc2cccc(Br)c2)o1)C1CC1
InChIInChI=1S/C18H21BrN2O3/c1-18(11-20,12-5-6-12)21-17(22)16-8-7-15(24-16)10-23-14-4-2-3-13(19)9-14/h2-4,7-9,12H,5-6,10-11,20H2,1H3,(H,21,22)
InChIKeyVADCDVRUSFJXDL-UHFFFAOYSA-N
MW393.28 g/mol
LogP3.48
Rot. Bonds7

About N-(1-amino-2-cyclopropylpropan-2-yl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide

N-(1-amino-2-cyclopropylpropan-2-yl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide (PubChem CID 119575372) has the molecular formula C18H21BrN2O3 and a molecular weight of 393.28 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide
PubChem CID119575372
Molecular FormulaC18H21BrN2O3
Molecular Weight393.28 g/mol
Exact Mass392.07
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide
SMILESCC(CN)(NC(=O)c1ccc(COc2cccc(Br)c2)o1)C1CC1
InChIInChI=1S/C18H21BrN2O3/c1-18(11-20,12-5-6-12)21-17(22)16-8-7-15(24-16)10-23-14-4-2-3-13(19)9-14/h2-4,7-9,12H,5-6,10-11,20H2,1H3,(H,21,22)
InChIKeyVADCDVRUSFJXDL-UHFFFAOYSA-N
XLogP3.48
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride
CID 119616986
N-(1-amino-2-cyclopropylpropan-2-yl)-6-(3-bromophenoxy)pyridine-3-carboxamide;dihydrochloride
CID 119574786
[5-[(3-bromophenoxy)methyl]furan-2-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119563369
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3-methylphenyl)methoxy]benzamide
CID 119575218
5-[(3-bromophenoxy)methyl]-N-(1-methylpyrazol-4-yl)furan-2-carboxamide
CID 60508098
[5-[(3-bromophenoxy)methyl]furan-2-yl]methanamine
CID 62459720
[2-(aminomethyl)pyrrolidin-1-yl]-[5-[(3-bromophenoxy)methyl]furan-2-yl]methanone;hydrochloride
CID 119634045
N-(1-amino-2-cyclopropylpropan-2-yl)-3-propoxybenzamide
CID 81487028
5-[(3-bromophenoxy)methyl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55778152
[2-(aminomethyl)piperidin-1-yl]-[5-[(3-bromophenoxy)methyl]furan-2-yl]methanone;hydrochloride
CID 119469178
5-[(3-bromophenoxy)methyl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)furan-2-carboxamide
CID 46489072
5-[(3-bromophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride
CID 119537396

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide (CID 119575372) is N-(1-amino-2-cyclopropylpropan-2-yl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide is CC(CN)(NC(=O)c1ccc(COc2cccc(Br)c2)o1)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide?
The InChIKey is VADCDVRUSFJXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3/c1-18(11-20,12-5-6-12)21-17(22)16-8-7-15(24-16)10-23-14-4-2-3-13(19)9-14/h2-4,7-9,12H,5-6,10-11,20H2,1H3,(H,21,22).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide has a molecular weight of 393.28 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 119575372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).