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

C18H21BrN2O3 — CID 43022777

IUPACN-[4-[1-(4-bromophenyl)propylamino]-4-oxobutyl]furan-2-carboxamide
SMILESCCC(NC(=O)CCCNC(=O)c1ccco1)c1ccc(Br)cc1
InChIInChI=1S/C18H21BrN2O3/c1-2-15(13-7-9-14(19)10-8-13)21-17(22)6-3-11-20-18(23)16-5-4-12-24-16/h4-5,7-10,12,15H,2-3,6,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyDOIYBIYBUXNQRJ-UHFFFAOYSA-N
MW393.28 g/mol
LogP3.82
Rot. Bonds8

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

N-[4-[1-(4-bromophenyl)propylamino]-4-oxobutyl]furan-2-carboxamide (PubChem CID 43022777) has the molecular formula C18H21BrN2O3 and a molecular weight of 393.28 g/mol. Its IUPAC name is N-[4-[1-(4-bromophenyl)propylamino]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(4-bromophenyl)propylamino]-4-oxobutyl]furan-2-carboxamide
PubChem CID43022777
Molecular FormulaC18H21BrN2O3
Molecular Weight393.28 g/mol
Exact Mass392.07
IUPAC NameN-[4-[1-(4-bromophenyl)propylamino]-4-oxobutyl]furan-2-carboxamide
SMILESCCC(NC(=O)CCCNC(=O)c1ccco1)c1ccc(Br)cc1
InChIInChI=1S/C18H21BrN2O3/c1-2-15(13-7-9-14(19)10-8-13)21-17(22)6-3-11-20-18(23)16-5-4-12-24-16/h4-5,7-10,12,15H,2-3,6,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyDOIYBIYBUXNQRJ-UHFFFAOYSA-N
XLogP3.82
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[1-(4-bromophenyl)propylamino]-4-oxobutyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 46532972
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-(1,3-dihydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
CID 65312462
N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide
CID 51181201
ethyl 2-[4-(furan-2-carbonylamino)butanoylamino]propanoate
CID 61343133
2-[4-(furan-2-carbonylamino)butanoylamino]-3-methylbutanoic acid
CID 43353978
N-[4-[1-(1,3-benzodioxol-5-yl)ethylamino]-4-oxobutyl]furan-2-carboxamide
CID 42934368
N-[4-[[(S)-(4-bromo-2-fluorophenyl)-phenylmethyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 51965230
N-[3-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 110004386
methyl 3-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-methylphenyl)propanoate
CID 55440381
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-bromophenyl)propylamino]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[1-(4-bromophenyl)propylamino]-4-oxobutyl]furan-2-carboxamide (CID 43022777) is N-[4-[1-(4-bromophenyl)propylamino]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[1-(4-bromophenyl)propylamino]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[1-(4-bromophenyl)propylamino]-4-oxobutyl]furan-2-carboxamide is CCC(NC(=O)CCCNC(=O)c1ccco1)c1ccc(Br)cc1.
What is the InChIKey of N-[4-[1-(4-bromophenyl)propylamino]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is DOIYBIYBUXNQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3/c1-2-15(13-7-9-14(19)10-8-13)21-17(22)6-3-11-20-18(23)16-5-4-12-24-16/h4-5,7-10,12,15H,2-3,6,11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[4-[1-(4-bromophenyl)propylamino]-4-oxobutyl]furan-2-carboxamide?
N-[4-[1-(4-bromophenyl)propylamino]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 393.28 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-bromophenyl)propylamino]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 43022777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).