2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide

C19H13ClN2O2 — CID 3550941

IUPAC2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
SMILESN#Cc1c(NC(=O)CCl)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C19H13ClN2O2/c20-11-16(23)22-19-15(12-21)17(13-7-3-1-4-8-13)18(24-19)14-9-5-2-6-10-14/h1-10H,11H2,(H,22,23)
InChIKeyCAMPPHMZHCCAFA-UHFFFAOYSA-N
MW336.78 g/mol
LogP4.66
Rot. Bonds4

About 2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide

2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide (PubChem CID 3550941) has the molecular formula C19H13ClN2O2 and a molecular weight of 336.78 g/mol. Its IUPAC name is 2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
PubChem CID3550941
Molecular FormulaC19H13ClN2O2
Molecular Weight336.78 g/mol
Exact Mass336.07
IUPAC Name2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
SMILESN#Cc1c(NC(=O)CCl)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C19H13ClN2O2/c20-11-16(23)22-19-15(12-21)17(13-7-3-1-4-8-13)18(24-19)14-9-5-2-6-10-14/h1-10H,11H2,(H,22,23)
InChIKeyCAMPPHMZHCCAFA-UHFFFAOYSA-N
XLogP4.66
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide 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

N-[4,5-bis(4-tert-butylphenyl)-3-cyanofuran-2-yl]-2-chloroacetamide
CID 2341202
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-phenylsulfanylacetamide
CID 2234351
4-chloro-N-[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl]benzamide
CID 108757677
3-(2-chlorophenoxy)-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide
CID 108802318
N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2,2-trifluoroacetamide
CID 1102939
2-(1-adamantyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
CID 108757680
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(3,4-dimethylphenoxy)acetamide
CID 108757727
N-(3-cyano-4,5-diphenylfuran-2-yl)-3-(4-methylphenoxy)propanamide
CID 108802771
2-bromo-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide
CID 108757660
N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide
CID 108757664
[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 4-formylbenzoate
CID 23876644
2-chloro-N-(3-cyano-4,5-dithiophen-2-ylfuran-2-yl)acetamide
CID 2392283

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide (CID 3550941) is 2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide is N#Cc1c(NC(=O)CCl)oc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide?
The InChIKey is CAMPPHMZHCCAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O2/c20-11-16(23)22-19-15(12-21)17(13-7-3-1-4-8-13)18(24-19)14-9-5-2-6-10-14/h1-10H,11H2,(H,22,23).
What are the key properties of 2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide?
2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide has a molecular weight of 336.78 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide is sourced from PubChem (CID 3550941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).