2-cyano-N-(3,4-dichlorophenyl)-3-[5-(diethylamino)furan-2-yl]prop-2-enamide

C18H17Cl2N3O2 — CID 131852993

IUPAC2-cyano-N-(3,4-dichlorophenyl)-3-[5-(diethylamino)furan-2-yl]prop-2-enamide
SMILESCCN(CC)c1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C18H17Cl2N3O2/c1-3-23(4-2)17-8-6-14(25-17)9-12(11-21)18(24)22-13-5-7-15(19)16(20)10-13/h5-10H,3-4H2,1-2H3,(H,22,24)
InChIKeyRQORAGJOLHUNBS-UHFFFAOYSA-N
MW378.26 g/mol
LogP4.98
Rot. Bonds6

About 2-cyano-N-(3,4-dichlorophenyl)-3-[5-(diethylamino)furan-2-yl]prop-2-enamide

2-cyano-N-(3,4-dichlorophenyl)-3-[5-(diethylamino)furan-2-yl]prop-2-enamide (PubChem CID 131852993) has the molecular formula C18H17Cl2N3O2 and a molecular weight of 378.26 g/mol. Its IUPAC name is 2-cyano-N-(3,4-dichlorophenyl)-3-[5-(diethylamino)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name2-cyano-N-(3,4-dichlorophenyl)-3-[5-(diethylamino)furan-2-yl]prop-2-enamide
PubChem CID131852993
Molecular FormulaC18H17Cl2N3O2
Molecular Weight378.26 g/mol
Exact Mass377.07
IUPAC Name2-cyano-N-(3,4-dichlorophenyl)-3-[5-(diethylamino)furan-2-yl]prop-2-enamide
SMILESCCN(CC)c1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C18H17Cl2N3O2/c1-3-23(4-2)17-8-6-14(25-17)9-12(11-21)18(24)22-13-5-7-15(19)16(20)10-13/h5-10H,3-4H2,1-2H3,(H,22,24)
InChIKeyRQORAGJOLHUNBS-UHFFFAOYSA-N
XLogP4.98
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_B(2)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-cyano-N-(3,4-dichlorophenyl)-3-[5-(diethylamino)furan-2-yl]prop-2-enamide 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

2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(3-methylphenyl)prop-2-enamide
CID 71437249
(E)-N-(3-bromophenyl)-2-cyano-3-[5-(diethylamino)furan-2-yl]prop-2-enamide
CID 1365972
(Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide
CID 767818
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-(3,4-dichlorophenyl)prop-2-enamide
CID 18863626
(E)-2-cyano-N-(3,4-dichlorophenyl)-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 18863623
4-chloro-3-[5-[2-cyano-3-(3,4-dichloroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
CID 3748048
(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-[4-(diethylamino)-2-methylanilino]prop-2-enamide chloride
CID 108821933
(E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-phenylprop-2-enamide
CID 877036
(Z)-N-(4-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
CID 738795
2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(4-fluoro-3-methylphenyl)prop-2-enamide
CID 171132338
4-[5-[(E)-3-(3-chloro-4-methylanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
CID 1356063
(Z)-3-[bis(prop-2-enyl)amino]-2-cyano-N-(3,4-dichlorophenyl)prop-2-enamide
CID 108821764

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3,4-dichlorophenyl)-3-[5-(diethylamino)furan-2-yl]prop-2-enamide?
The IUPAC name of 2-cyano-N-(3,4-dichlorophenyl)-3-[5-(diethylamino)furan-2-yl]prop-2-enamide (CID 131852993) is 2-cyano-N-(3,4-dichlorophenyl)-3-[5-(diethylamino)furan-2-yl]prop-2-enamide.
What is the SMILES notation for 2-cyano-N-(3,4-dichlorophenyl)-3-[5-(diethylamino)furan-2-yl]prop-2-enamide?
The canonical SMILES for 2-cyano-N-(3,4-dichlorophenyl)-3-[5-(diethylamino)furan-2-yl]prop-2-enamide is CCN(CC)c1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of 2-cyano-N-(3,4-dichlorophenyl)-3-[5-(diethylamino)furan-2-yl]prop-2-enamide?
The InChIKey is RQORAGJOLHUNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2/c1-3-23(4-2)17-8-6-14(25-17)9-12(11-21)18(24)22-13-5-7-15(19)16(20)10-13/h5-10H,3-4H2,1-2H3,(H,22,24).
What are the key properties of 2-cyano-N-(3,4-dichlorophenyl)-3-[5-(diethylamino)furan-2-yl]prop-2-enamide?
2-cyano-N-(3,4-dichlorophenyl)-3-[5-(diethylamino)furan-2-yl]prop-2-enamide has a molecular weight of 378.26 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3,4-dichlorophenyl)-3-[5-(diethylamino)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 131852993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).