N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide

C21H16FN3O4 — CID 4970007

IUPACN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(F)cc12)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C21H16FN3O4/c22-15-4-5-18-17(11-15)14(12-24-18)8-9-23-21(26)20-7-6-19(29-20)13-2-1-3-16(10-13)25(27)28/h1-7,10-12,24H,8-9H2,(H,23,26)
InChIKeyDEZKVKKHXDHYAN-UHFFFAOYSA-N
MW393.37 g/mol
LogP4.45
Rot. Bonds6

About N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide (PubChem CID 4970007) has the molecular formula C21H16FN3O4 and a molecular weight of 393.37 g/mol. Its IUPAC name is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide
PubChem CID4970007
Molecular FormulaC21H16FN3O4
Molecular Weight393.37 g/mol
Exact Mass393.11
IUPAC NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(F)cc12)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C21H16FN3O4/c22-15-4-5-18-17(11-15)14(12-24-18)8-9-23-21(26)20-7-6-19(29-20)13-2-1-3-16(10-13)25(27)28/h1-7,10-12,24H,8-9H2,(H,23,26)
InChIKeyDEZKVKKHXDHYAN-UHFFFAOYSA-N
XLogP4.45
TPSA101.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(3-nitrophenyl)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

5-{4-[4-(5-Fluoro-1H-indol-3-yl)-butyl]-piperazin-1-yl}-benzofuran-2-carboxylic acid amide
CID 11316467
(2R)-N-[(2S)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 10671411
2-[3-(furan-2-ylcarbonyl)-1H-indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 3157244
N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 744531
N-[(1Z)-1-(furan-2-yl)-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 1597875
4-fluoro-N-[(2S)-1-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenoxy]-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 73776614
N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 582676
(E)-N'-((1H-indol-3-yl)methylene)benzofuran-2-carbohydrazide
CID 135439694
N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)-2-methylpropanamide
CID 17580014
1-(4-fluoro-1H-indol-3-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 506359
2-[3-(Furan-2-carbonyl)-indol-1-yl]-N-furan-2-ylmethyl-acetamide
CID 955158
N-(2-furanylmethyl)-2-[3-(1-oxo-2-phenoxyethyl)-1-indolyl]acetamide
CID 2219483

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide (CID 4970007) is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide is O=C(NCCc1c[nH]c2ccc(F)cc12)c1ccc(-c2cccc([N+](=O)[O-])c2)o1.
What is the InChIKey of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide?
The InChIKey is DEZKVKKHXDHYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O4/c22-15-4-5-18-17(11-15)14(12-24-18)8-9-23-21(26)20-7-6-19(29-20)13-2-1-3-16(10-13)25(27)28/h1-7,10-12,24H,8-9H2,(H,23,26).
What are the key properties of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide?
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide has a molecular weight of 393.37 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 4970007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).