N-[3-[[1-(4-nitrophenyl)cyclopentanecarbonyl]amino]phenyl]furan-2-carboxamide

C23H21N3O5 — CID 17148146

IUPACN-[3-[[1-(4-nitrophenyl)cyclopentanecarbonyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c1)c1ccco1
InChIInChI=1S/C23H21N3O5/c27-21(20-7-4-14-31-20)24-17-5-3-6-18(15-17)25-22(28)23(12-1-2-13-23)16-8-10-19(11-9-16)26(29)30/h3-11,14-15H,1-2,12-13H2,(H,24,27)(H,25,28)
InChIKeyKTGDGTVOZDCNLR-UHFFFAOYSA-N
MW419.44 g/mol
LogP4.89
Rot. Bonds6

About N-[3-[[1-(4-nitrophenyl)cyclopentanecarbonyl]amino]phenyl]furan-2-carboxamide

N-[3-[[1-(4-nitrophenyl)cyclopentanecarbonyl]amino]phenyl]furan-2-carboxamide (PubChem CID 17148146) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is N-[3-[[1-(4-nitrophenyl)cyclopentanecarbonyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[1-(4-nitrophenyl)cyclopentanecarbonyl]amino]phenyl]furan-2-carboxamide
PubChem CID17148146
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC NameN-[3-[[1-(4-nitrophenyl)cyclopentanecarbonyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c1)c1ccco1
InChIInChI=1S/C23H21N3O5/c27-21(20-7-4-14-31-20)24-17-5-3-6-18(15-17)25-22(28)23(12-1-2-13-23)16-8-10-19(11-9-16)26(29)30/h3-11,14-15H,1-2,12-13H2,(H,24,27)(H,25,28)
InChIKeyKTGDGTVOZDCNLR-UHFFFAOYSA-N
XLogP4.89
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-[[1-(4-nitrophenyl)cyclopentanecarbonyl]amino]phenyl]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-(3-nitrophenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 3120388
N-[3-[(4-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 1333464
N-(3-nitrophenyl)-1-phenylcyclopentane-1-carboxamide
CID 1108208
N-[3-[(4-nitroanilino)methyl]phenyl]furan-2-carboxamide
CID 32878628
N-[3-[(2-chloro-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 40510567
N-[3-[(2-bromo-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 15993765
N-[2-methyl-4-[(1-phenylcyclopentanecarbonyl)amino]phenyl]furan-2-carboxamide
CID 28624250
N-[3-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]-4-methylphenyl]furan-2-carboxamide
CID 28624182
N-(3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide
CID 16558552
N-[4-(4-nitrophenyl)sulfonylphenyl]furan-2-carboxamide
CID 26199992
N-[[3-(furan-2-carbonylamino)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 4042858
N-[2-(3-nitroanilino)-2-oxoethyl]furan-2-carboxamide
CID 7965625

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-(4-nitrophenyl)cyclopentanecarbonyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[1-(4-nitrophenyl)cyclopentanecarbonyl]amino]phenyl]furan-2-carboxamide (CID 17148146) is N-[3-[[1-(4-nitrophenyl)cyclopentanecarbonyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[1-(4-nitrophenyl)cyclopentanecarbonyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[1-(4-nitrophenyl)cyclopentanecarbonyl]amino]phenyl]furan-2-carboxamide is O=C(Nc1cccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c1)c1ccco1.
What is the InChIKey of N-[3-[[1-(4-nitrophenyl)cyclopentanecarbonyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is KTGDGTVOZDCNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c27-21(20-7-4-14-31-20)24-17-5-3-6-18(15-17)25-22(28)23(12-1-2-13-23)16-8-10-19(11-9-16)26(29)30/h3-11,14-15H,1-2,12-13H2,(H,24,27)(H,25,28).
What are the key properties of N-[3-[[1-(4-nitrophenyl)cyclopentanecarbonyl]amino]phenyl]furan-2-carboxamide?
N-[3-[[1-(4-nitrophenyl)cyclopentanecarbonyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 419.44 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-(4-nitrophenyl)cyclopentanecarbonyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 17148146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).