5-bromo-N-[4-[[4-(butylcarbamoyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide

C24H24BrN3O4 — CID 112841943

IUPAC5-bromo-N-[4-[[4-(butylcarbamoyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCCCCNC(=O)c1ccc(CNC(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)cc1
InChIInChI=1S/C24H24BrN3O4/c1-2-3-14-26-22(29)17-6-4-16(5-7-17)15-27-23(30)18-8-10-19(11-9-18)28-24(31)20-12-13-21(25)32-20/h4-13H,2-3,14-15H2,1H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyZTHYUHXBIKCHDN-UHFFFAOYSA-N
MW498.38 g/mol
LogP4.75
Rot. Bonds9

About 5-bromo-N-[4-[[4-(butylcarbamoyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide

5-bromo-N-[4-[[4-(butylcarbamoyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 112841943) has the molecular formula C24H24BrN3O4 and a molecular weight of 498.38 g/mol. Its IUPAC name is 5-bromo-N-[4-[[4-(butylcarbamoyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[[4-(butylcarbamoyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID112841943
Molecular FormulaC24H24BrN3O4
Molecular Weight498.38 g/mol
Exact Mass497.10
IUPAC Name5-bromo-N-[4-[[4-(butylcarbamoyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCCCCNC(=O)c1ccc(CNC(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)cc1
InChIInChI=1S/C24H24BrN3O4/c1-2-3-14-26-22(29)17-6-4-16(5-7-17)15-27-23(30)18-8-10-19(11-9-18)28-24(31)20-12-13-21(25)32-20/h4-13H,2-3,14-15H2,1H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyZTHYUHXBIKCHDN-UHFFFAOYSA-N
XLogP4.75
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.38
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(butylcarbamoyl)phenyl]methyl]-5-chlorofuran-2-carboxamide
CID 86986285
4-N-(4-bromophenyl)-1-N-butylbenzene-1,4-dicarboxamide
CID 109043765
5-bromo-N-[[4-(butanoylamino)phenyl]methyl]furan-2-carboxamide
CID 55781738
5-bromo-N-[4-[2-[(3-fluoro-4-methylbenzoyl)amino]ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 112839716
4-[[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]methyl]-N-butylbenzamide
CID 112838026
5-bromo-N-[4-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55791104
1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109043732
ethyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 703718
5-bromo-N-(4-heptoxyphenyl)furan-2-carboxamide
CID 4951508
5-bromo-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 51299744
5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide
CID 738269

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[[4-(butylcarbamoyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[[4-(butylcarbamoyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide (CID 112841943) is 5-bromo-N-[4-[[4-(butylcarbamoyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[[4-(butylcarbamoyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[[4-(butylcarbamoyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide is CCCCNC(=O)c1ccc(CNC(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)cc1.
What is the InChIKey of 5-bromo-N-[4-[[4-(butylcarbamoyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is ZTHYUHXBIKCHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN3O4/c1-2-3-14-26-22(29)17-6-4-16(5-7-17)15-27-23(30)18-8-10-19(11-9-18)28-24(31)20-12-13-21(25)32-20/h4-13H,2-3,14-15H2,1H3,(H,26,29)(H,27,30)(H,28,31).
What are the key properties of 5-bromo-N-[4-[[4-(butylcarbamoyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide?
5-bromo-N-[4-[[4-(butylcarbamoyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 498.38 g/mol, XLogP of 4.75, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[[4-(butylcarbamoyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 112841943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).