N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-nitro-2-phenoxybenzamide

C23H23N3O5 — CID 55758163

IUPACN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-nitro-2-phenoxybenzamide
SMILESO=C(NCC(c1ccco1)N1CCCC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1
InChIInChI=1S/C23H23N3O5/c27-23(24-16-20(22-9-6-14-30-22)25-12-4-5-13-25)19-15-17(26(28)29)10-11-21(19)31-18-7-2-1-3-8-18/h1-3,6-11,14-15,20H,4-5,12-13,16H2,(H,24,27)
InChIKeyGREBPTYSQICOKB-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.55
Rot. Bonds8

About N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-nitro-2-phenoxybenzamide

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-nitro-2-phenoxybenzamide (PubChem CID 55758163) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-nitro-2-phenoxybenzamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-nitro-2-phenoxybenzamide
PubChem CID55758163
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-nitro-2-phenoxybenzamide
SMILESO=C(NCC(c1ccco1)N1CCCC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1
InChIInChI=1S/C23H23N3O5/c27-23(24-16-20(22-9-6-14-30-22)25-12-4-5-13-25)19-15-17(26(28)29)10-11-21(19)31-18-7-2-1-3-8-18/h1-3,6-11,14-15,20H,4-5,12-13,16H2,(H,24,27)
InChIKeyGREBPTYSQICOKB-UHFFFAOYSA-N
XLogP4.55
TPSA97.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-nitro-2-phenoxybenzamide 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

1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(4-nitrophenyl)urea
CID 42912289
phenyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
CID 112503288
2-fluoro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834331
4-ethoxy-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methoxy-2-nitrobenzamide
CID 55451253
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3-nitrobenzamide
CID 7162631
N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]-3-nitrobenzamide
CID 46522286
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 43842816
N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-nitrobenzamide
CID 7217179
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 4883742
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(phenoxymethyl)benzamide
CID 8001911
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxy-5-nitrobenzamide
CID 51219587

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-nitro-2-phenoxybenzamide?
The IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-nitro-2-phenoxybenzamide (CID 55758163) is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-nitro-2-phenoxybenzamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-nitro-2-phenoxybenzamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-nitro-2-phenoxybenzamide is O=C(NCC(c1ccco1)N1CCCC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1.
What is the InChIKey of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-nitro-2-phenoxybenzamide?
The InChIKey is GREBPTYSQICOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c27-23(24-16-20(22-9-6-14-30-22)25-12-4-5-13-25)19-15-17(26(28)29)10-11-21(19)31-18-7-2-1-3-8-18/h1-3,6-11,14-15,20H,4-5,12-13,16H2,(H,24,27).
What are the key properties of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-nitro-2-phenoxybenzamide?
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-nitro-2-phenoxybenzamide has a molecular weight of 421.45 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-nitro-2-phenoxybenzamide is sourced from PubChem (CID 55758163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).