(2S,3S)-3-(3,4-dichlorophenyl)-2-nitro-5-phenyl-2,3-dihydrofuran-4-carbonitrile

C17H10Cl2N2O3 — CID 132549651

IUPAC(2S,3S)-3-(3,4-dichlorophenyl)-2-nitro-5-phenyl-2,3-dihydrofuran-4-carbonitrile
SMILESN#CC1=C(c2ccccc2)O[C@H]([N+](=O)[O-])[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H10Cl2N2O3/c18-13-7-6-11(8-14(13)19)15-12(9-20)16(24-17(15)21(22)23)10-4-2-1-3-5-10/h1-8,15,17H/t15-,17-/m0/s1
InChIKeyRYIAVOKYGWVLJH-RDJZCZTQSA-N
MW361.18 g/mol
LogP4.64
Rot. Bonds3

About (2S,3S)-3-(3,4-dichlorophenyl)-2-nitro-5-phenyl-2,3-dihydrofuran-4-carbonitrile

(2S,3S)-3-(3,4-dichlorophenyl)-2-nitro-5-phenyl-2,3-dihydrofuran-4-carbonitrile (PubChem CID 132549651) has the molecular formula C17H10Cl2N2O3 and a molecular weight of 361.18 g/mol. Its IUPAC name is (2S,3S)-3-(3,4-dichlorophenyl)-2-nitro-5-phenyl-2,3-dihydrofuran-4-carbonitrile.

Molecular Properties

Compound Name(2S,3S)-3-(3,4-dichlorophenyl)-2-nitro-5-phenyl-2,3-dihydrofuran-4-carbonitrile
PubChem CID132549651
Molecular FormulaC17H10Cl2N2O3
Molecular Weight361.18 g/mol
Exact Mass360.01
IUPAC Name(2S,3S)-3-(3,4-dichlorophenyl)-2-nitro-5-phenyl-2,3-dihydrofuran-4-carbonitrile
SMILESN#CC1=C(c2ccccc2)O[C@H]([N+](=O)[O-])[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H10Cl2N2O3/c18-13-7-6-11(8-14(13)19)15-12(9-20)16(24-17(15)21(22)23)10-4-2-1-3-5-10/h1-8,15,17H/t15-,17-/m0/s1
InChIKeyRYIAVOKYGWVLJH-RDJZCZTQSA-N
XLogP4.64
TPSA76.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 54.64
H-Bond Donors ≤ 50
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 (2S,3S)-3-(3,4-dichlorophenyl)-2-nitro-5-phenyl-2,3-dihydrofuran-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(3,4-dichlorophenyl)-2-nitro-5-phenyl-2,3-dihydrofuran-4-carbonitrile?
The IUPAC name of (2S,3S)-3-(3,4-dichlorophenyl)-2-nitro-5-phenyl-2,3-dihydrofuran-4-carbonitrile (CID 132549651) is (2S,3S)-3-(3,4-dichlorophenyl)-2-nitro-5-phenyl-2,3-dihydrofuran-4-carbonitrile.
What is the SMILES notation for (2S,3S)-3-(3,4-dichlorophenyl)-2-nitro-5-phenyl-2,3-dihydrofuran-4-carbonitrile?
The canonical SMILES for (2S,3S)-3-(3,4-dichlorophenyl)-2-nitro-5-phenyl-2,3-dihydrofuran-4-carbonitrile is N#CC1=C(c2ccccc2)O[C@H]([N+](=O)[O-])[C@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2S,3S)-3-(3,4-dichlorophenyl)-2-nitro-5-phenyl-2,3-dihydrofuran-4-carbonitrile?
The InChIKey is RYIAVOKYGWVLJH-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H10Cl2N2O3/c18-13-7-6-11(8-14(13)19)15-12(9-20)16(24-17(15)21(22)23)10-4-2-1-3-5-10/h1-8,15,17H/t15-,17-/m0/s1.
What are the key properties of (2S,3S)-3-(3,4-dichlorophenyl)-2-nitro-5-phenyl-2,3-dihydrofuran-4-carbonitrile?
(2S,3S)-3-(3,4-dichlorophenyl)-2-nitro-5-phenyl-2,3-dihydrofuran-4-carbonitrile has a molecular weight of 361.18 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(3,4-dichlorophenyl)-2-nitro-5-phenyl-2,3-dihydrofuran-4-carbonitrile is sourced from PubChem (CID 132549651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).