N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide

C17H19BrN2O3 — CID 51181201

IUPACN-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide
SMILESCC(NC(=O)CCCNC(=O)c1ccco1)c1ccccc1Br
InChIInChI=1S/C17H19BrN2O3/c1-12(13-6-2-3-7-14(13)18)20-16(21)9-4-10-19-17(22)15-8-5-11-23-15/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,19,22)(H,20,21)
InChIKeyOEYKKMILAUEQDW-UHFFFAOYSA-N
MW379.25 g/mol
LogP3.43
Rot. Bonds7

About N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide

N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide (PubChem CID 51181201) has the molecular formula C17H19BrN2O3 and a molecular weight of 379.25 g/mol. Its IUPAC name is N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide
PubChem CID51181201
Molecular FormulaC17H19BrN2O3
Molecular Weight379.25 g/mol
Exact Mass378.06
IUPAC NameN-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide
SMILESCC(NC(=O)CCCNC(=O)c1ccco1)c1ccccc1Br
InChIInChI=1S/C17H19BrN2O3/c1-12(13-6-2-3-7-14(13)18)20-16(21)9-4-10-19-17(22)15-8-5-11-23-15/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,19,22)(H,20,21)
InChIKeyOEYKKMILAUEQDW-UHFFFAOYSA-N
XLogP3.43
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[1-(2,5-dimethoxyphenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide
CID 51207731
N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
CID 43418787
N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutyl]furan-2-carboxamide
CID 79030673
N-[4-oxo-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butyl]furan-2-carboxamide
CID 103722946
2-[4-(furan-2-carbonylamino)butanoylamino]-3-methylbutanoic acid
CID 43353978
N-[4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
CID 65312462
tert-butyl N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutyl]carbamate
CID 51217500
N-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 31194170
N-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide
CID 79204955
ethyl 2-[4-(furan-2-carbonylamino)butanoylamino]propanoate
CID 61343133
N-[4-[1-(4-bromophenyl)propylamino]-4-oxobutyl]furan-2-carboxamide
CID 43022777
N-[4-[1-(1,3-benzodioxol-5-yl)ethylamino]-4-oxobutyl]furan-2-carboxamide
CID 42934368

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide (CID 51181201) is N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide is CC(NC(=O)CCCNC(=O)c1ccco1)c1ccccc1Br.
What is the InChIKey of N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is OEYKKMILAUEQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3/c1-12(13-6-2-3-7-14(13)18)20-16(21)9-4-10-19-17(22)15-8-5-11-23-15/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide?
N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 379.25 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 51181201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).