[(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium

C20H19ClN3O4+ — CID 8918941

IUPAC[(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
SMILESC[C@H]([NH2+][C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccco1
InChIInChI=1S/C20H18ClN3O4/c1-13(18-8-5-11-28-18)22-19(14-6-3-2-4-7-14)20(25)23-15-9-10-16(21)17(12-15)24(26)27/h2-13,19,22H,1H3,(H,23,25)/p+1/t13-,19+/m0/s1
InChIKeyJLHLWPIDDPZHGV-ORAYPTAESA-O
MW400.84 g/mol
LogP3.85
Rot. Bonds7

About [(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium

[(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium (PubChem CID 8918941) has the molecular formula C20H19ClN3O4+ and a molecular weight of 400.84 g/mol. Its IUPAC name is [(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium.

Molecular Properties

Compound Name[(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
PubChem CID8918941
Molecular FormulaC20H19ClN3O4+
Molecular Weight400.84 g/mol
Exact Mass400.11
IUPAC Name[(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
SMILESC[C@H]([NH2+][C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccco1
InChIInChI=1S/C20H18ClN3O4/c1-13(18-8-5-11-28-18)22-19(14-6-3-2-4-7-14)20(25)23-15-9-10-16(21)17(12-15)24(26)27/h2-13,19,22H,1H3,(H,23,25)/p+1/t13-,19+/m0/s1
InChIKeyJLHLWPIDDPZHGV-ORAYPTAESA-O
XLogP3.85
TPSA101.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.84
LogP ≤ 53.85
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 [(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium 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

[(1S)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8918938
[(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]-[(1S)-1-phenylethyl]azanium
CID 8898657
[(1S)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]-[(2S)-1-methoxypropan-2-yl]azanium
CID 2400071
2-amino-N-(4-chloro-3-nitrophenyl)propanamide
CID 43708462
1-(4-chloro-3-nitrophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890610
N-(4-chloro-3-nitrophenyl)-2-(2-nitrophenoxy)-2-phenylacetamide
CID 18268134
[(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] cyclopropanecarboxylate
CID 7863188
N-[(2S)-1-(4-chloro-3-nitroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 55944695
[(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] (E)-but-2-enoate
CID 7698662
[2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] butanoate
CID 42963105
[(1R)-1-(3-chlorophenyl)ethyl]-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]azanium
CID 9307429
N-(4-chloro-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide
CID 79195599

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium?
The IUPAC name of [(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium (CID 8918941) is [(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium.
What is the SMILES notation for [(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium?
The canonical SMILES for [(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium is C[C@H]([NH2+][C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccco1.
What is the InChIKey of [(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium?
The InChIKey is JLHLWPIDDPZHGV-ORAYPTAESA-O. The full InChI is InChI=1S/C20H18ClN3O4/c1-13(18-8-5-11-28-18)22-19(14-6-3-2-4-7-14)20(25)23-15-9-10-16(21)17(12-15)24(26)27/h2-13,19,22H,1H3,(H,23,25)/p+1/t13-,19+/m0/s1.
What are the key properties of [(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium?
[(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium has a molecular weight of 400.84 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium is sourced from PubChem (CID 8918941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).