[5-[[(3-fluorophenyl)methyl-[(3-nitrophenyl)methyl]amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone

C24H24FN3O4 — CID 4030904

IUPAC[5-[[(3-fluorophenyl)methyl-[(3-nitrophenyl)methyl]amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(CN(Cc2cccc(F)c2)Cc2cccc([N+](=O)[O-])c2)o1)N1CCCC1
InChIInChI=1S/C24H24FN3O4/c25-20-7-3-5-18(13-20)15-26(16-19-6-4-8-21(14-19)28(30)31)17-22-9-10-23(32-22)24(29)27-11-1-2-12-27/h3-10,13-14H,1-2,11-12,15-17H2
InChIKeyRUEMZTRRTZOJSO-UHFFFAOYSA-N
MW437.47 g/mol
LogP4.77
Rot. Bonds8

About [5-[[(3-fluorophenyl)methyl-[(3-nitrophenyl)methyl]amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone

[5-[[(3-fluorophenyl)methyl-[(3-nitrophenyl)methyl]amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 4030904) has the molecular formula C24H24FN3O4 and a molecular weight of 437.47 g/mol. Its IUPAC name is [5-[[(3-fluorophenyl)methyl-[(3-nitrophenyl)methyl]amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[[(3-fluorophenyl)methyl-[(3-nitrophenyl)methyl]amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID4030904
Molecular FormulaC24H24FN3O4
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC Name[5-[[(3-fluorophenyl)methyl-[(3-nitrophenyl)methyl]amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(CN(Cc2cccc(F)c2)Cc2cccc([N+](=O)[O-])c2)o1)N1CCCC1
InChIInChI=1S/C24H24FN3O4/c25-20-7-3-5-18(13-20)15-26(16-19-6-4-8-21(14-19)28(30)31)17-22-9-10-23(32-22)24(29)27-11-1-2-12-27/h3-10,13-14H,1-2,11-12,15-17H2
InChIKeyRUEMZTRRTZOJSO-UHFFFAOYSA-N
XLogP4.77
TPSA79.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 54.77
H-Bond Donors ≤ 50
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'}

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Related Compounds

5-[[(3-fluorophenyl)methyl-[(3-nitrophenyl)methyl]amino]methyl]furan-2-carboxylic acid
CID 42750665
[5-[[(3-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 1200054
[5-[[(3-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 4572338
1-[5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperidine-4-carboxamide
CID 3914029
ethyl 1-[5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-carbonyl]piperidine-3-carboxylate
CID 42753712
[5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42753707
[5-[[(4-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 5161062
(3-fluorophenyl)-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366487
methyl 5-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxylate
CID 78807510
ethyl 4-[5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperazine-1-carboxylate
CID 3528580
1-[4-[5-[[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]furan-2-carbonyl]piperazin-1-yl]ethanone
CID 4029039
[5-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 4270423

Frequently Asked Questions

What is the IUPAC name of [5-[[(3-fluorophenyl)methyl-[(3-nitrophenyl)methyl]amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[[(3-fluorophenyl)methyl-[(3-nitrophenyl)methyl]amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone (CID 4030904) is [5-[[(3-fluorophenyl)methyl-[(3-nitrophenyl)methyl]amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[[(3-fluorophenyl)methyl-[(3-nitrophenyl)methyl]amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[[(3-fluorophenyl)methyl-[(3-nitrophenyl)methyl]amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(CN(Cc2cccc(F)c2)Cc2cccc([N+](=O)[O-])c2)o1)N1CCCC1.
What is the InChIKey of [5-[[(3-fluorophenyl)methyl-[(3-nitrophenyl)methyl]amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is RUEMZTRRTZOJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4/c25-20-7-3-5-18(13-20)15-26(16-19-6-4-8-21(14-19)28(30)31)17-22-9-10-23(32-22)24(29)27-11-1-2-12-27/h3-10,13-14H,1-2,11-12,15-17H2.
What are the key properties of [5-[[(3-fluorophenyl)methyl-[(3-nitrophenyl)methyl]amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
[5-[[(3-fluorophenyl)methyl-[(3-nitrophenyl)methyl]amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 437.47 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(3-fluorophenyl)methyl-[(3-nitrophenyl)methyl]amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 4030904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).