N-[(Z)-1-[5-(4-chlorophenyl)furan-2-yl]-3-[2-(dimethylamino)ethylamino]-3-oxoprop-1-en-2-yl]benzamide

C24H24ClN3O3 — CID 2131824

IUPACN-[(Z)-1-[5-(4-chlorophenyl)furan-2-yl]-3-[2-(dimethylamino)ethylamino]-3-oxoprop-1-en-2-yl]benzamide
SMILESCN(C)CCNC(=O)/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=O)c1ccccc1
InChIInChI=1S/C24H24ClN3O3/c1-28(2)15-14-26-24(30)21(27-23(29)18-6-4-3-5-7-18)16-20-12-13-22(31-20)17-8-10-19(25)11-9-17/h3-13,16H,14-15H2,1-2H3,(H,26,30)(H,27,29)/b21-16-
InChIKeyWDIVNGNSTQACEP-PGMHBOJBSA-N
MW437.93 g/mol
LogP4.05
Rot. Bonds8

About N-[(Z)-1-[5-(4-chlorophenyl)furan-2-yl]-3-[2-(dimethylamino)ethylamino]-3-oxoprop-1-en-2-yl]benzamide

N-[(Z)-1-[5-(4-chlorophenyl)furan-2-yl]-3-[2-(dimethylamino)ethylamino]-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 2131824) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is N-[(Z)-1-[5-(4-chlorophenyl)furan-2-yl]-3-[2-(dimethylamino)ethylamino]-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-[5-(4-chlorophenyl)furan-2-yl]-3-[2-(dimethylamino)ethylamino]-3-oxoprop-1-en-2-yl]benzamide
PubChem CID2131824
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC NameN-[(Z)-1-[5-(4-chlorophenyl)furan-2-yl]-3-[2-(dimethylamino)ethylamino]-3-oxoprop-1-en-2-yl]benzamide
SMILESCN(C)CCNC(=O)/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=O)c1ccccc1
InChIInChI=1S/C24H24ClN3O3/c1-28(2)15-14-26-24(30)21(27-23(29)18-6-4-3-5-7-18)16-20-12-13-22(31-20)17-8-10-19(25)11-9-17/h3-13,16H,14-15H2,1-2H3,(H,26,30)(H,27,29)/b21-16-
InChIKeyWDIVNGNSTQACEP-PGMHBOJBSA-N
XLogP4.05
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[5-(4-chlorophenyl)furan-2-yl]-3-[2-(dimethylamino)ethylamino]-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-1-[5-(4-chlorophenyl)furan-2-yl]-3-[2-(dimethylamino)ethylamino]-3-oxoprop-1-en-2-yl]benzamide (CID 2131824) is N-[(Z)-1-[5-(4-chlorophenyl)furan-2-yl]-3-[2-(dimethylamino)ethylamino]-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-1-[5-(4-chlorophenyl)furan-2-yl]-3-[2-(dimethylamino)ethylamino]-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-1-[5-(4-chlorophenyl)furan-2-yl]-3-[2-(dimethylamino)ethylamino]-3-oxoprop-1-en-2-yl]benzamide is CN(C)CCNC(=O)/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-1-[5-(4-chlorophenyl)furan-2-yl]-3-[2-(dimethylamino)ethylamino]-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is WDIVNGNSTQACEP-PGMHBOJBSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c1-28(2)15-14-26-24(30)21(27-23(29)18-6-4-3-5-7-18)16-20-12-13-22(31-20)17-8-10-19(25)11-9-17/h3-13,16H,14-15H2,1-2H3,(H,26,30)(H,27,29)/b21-16-.
What are the key properties of N-[(Z)-1-[5-(4-chlorophenyl)furan-2-yl]-3-[2-(dimethylamino)ethylamino]-3-oxoprop-1-en-2-yl]benzamide?
N-[(Z)-1-[5-(4-chlorophenyl)furan-2-yl]-3-[2-(dimethylamino)ethylamino]-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 437.93 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[5-(4-chlorophenyl)furan-2-yl]-3-[2-(dimethylamino)ethylamino]-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 2131824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).