N-[3-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]-4-methylphenyl]furan-2-carboxamide

C24H23BrN2O3 — CID 28624182

IUPACN-[3-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]-4-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccco2)cc1NC(=O)C1(c2ccc(Br)cc2)CCCC1
InChIInChI=1S/C24H23BrN2O3/c1-16-6-11-19(26-22(28)21-5-4-14-30-21)15-20(16)27-23(29)24(12-2-3-13-24)17-7-9-18(25)10-8-17/h4-11,14-15H,2-3,12-13H2,1H3,(H,26,28)(H,27,29)
InChIKeyVYUXFIZPLKOZFO-UHFFFAOYSA-N
MW467.36 g/mol
LogP6.05
Rot. Bonds5

About N-[3-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]-4-methylphenyl]furan-2-carboxamide

N-[3-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]-4-methylphenyl]furan-2-carboxamide (PubChem CID 28624182) has the molecular formula C24H23BrN2O3 and a molecular weight of 467.36 g/mol. Its IUPAC name is N-[3-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]-4-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]-4-methylphenyl]furan-2-carboxamide
PubChem CID28624182
Molecular FormulaC24H23BrN2O3
Molecular Weight467.36 g/mol
Exact Mass466.09
IUPAC NameN-[3-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]-4-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccco2)cc1NC(=O)C1(c2ccc(Br)cc2)CCCC1
InChIInChI=1S/C24H23BrN2O3/c1-16-6-11-19(26-22(28)21-5-4-14-30-21)15-20(16)27-23(29)24(12-2-3-13-24)17-7-9-18(25)10-8-17/h4-11,14-15H,2-3,12-13H2,1H3,(H,26,28)(H,27,29)
InChIKeyVYUXFIZPLKOZFO-UHFFFAOYSA-N
XLogP6.05
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.36
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]-4-methylphenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[2-methyl-4-[(1-phenylcyclopentanecarbonyl)amino]phenyl]furan-2-carboxamide
CID 28624250
N-[4-[[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]methyl]phenyl]furan-2-carboxamide
CID 34012584
N-[3-[[1-(4-nitrophenyl)cyclopentanecarbonyl]amino]phenyl]furan-2-carboxamide
CID 17148146
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
3-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]-N-ethyl-4-methylbenzamide
CID 55782733
1-(4-aminophenyl)-N-(5-bromo-2-methylphenyl)cyclopropane-1-carboxamide
CID 115913411
N-[4-[[(3-bromo-4-methylphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 78870406
1-(4-bromophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)cyclopentane-1-carboxamide
CID 46541438
1-(4-bromophenyl)-N-[3-(propanoylamino)phenyl]cyclopentane-1-carboxamide
CID 28624202
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-5-(propanoylamino)phenyl]cyclopentane-1-carboxamide
CID 55779910
N-[2-[2-methyl-5-(thiophene-2-carbonylamino)anilino]-2-oxoethyl]furan-2-carboxamide
CID 23856004
1-(4-bromophenyl)-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
CID 2214985

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]-4-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]-4-methylphenyl]furan-2-carboxamide (CID 28624182) is N-[3-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]-4-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]-4-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]-4-methylphenyl]furan-2-carboxamide is Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)C1(c2ccc(Br)cc2)CCCC1.
What is the InChIKey of N-[3-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]-4-methylphenyl]furan-2-carboxamide?
The InChIKey is VYUXFIZPLKOZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O3/c1-16-6-11-19(26-22(28)21-5-4-14-30-21)15-20(16)27-23(29)24(12-2-3-13-24)17-7-9-18(25)10-8-17/h4-11,14-15H,2-3,12-13H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[3-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]-4-methylphenyl]furan-2-carboxamide?
N-[3-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]-4-methylphenyl]furan-2-carboxamide has a molecular weight of 467.36 g/mol, XLogP of 6.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]-4-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 28624182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).