(Z)-2-cyano-3-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)prop-2-enamide

C15H11Cl2N3O2 — CID 108863279

IUPAC(Z)-2-cyano-3-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)prop-2-enamide
SMILESN#C/C(=C/Nc1cccc(Cl)c1Cl)C(=O)NCc1ccco1
InChIInChI=1S/C15H11Cl2N3O2/c16-12-4-1-5-13(14(12)17)19-8-10(7-18)15(21)20-9-11-3-2-6-22-11/h1-6,8,19H,9H2,(H,20,21)/b10-8-
InChIKeyHXGULHQICVVLJW-NTMALXAHSA-N
MW336.18 g/mol
LogP3.72
Rot. Bonds5

About (Z)-2-cyano-3-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)prop-2-enamide

(Z)-2-cyano-3-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)prop-2-enamide (PubChem CID 108863279) has the molecular formula C15H11Cl2N3O2 and a molecular weight of 336.18 g/mol. Its IUPAC name is (Z)-2-cyano-3-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)prop-2-enamide
PubChem CID108863279
Molecular FormulaC15H11Cl2N3O2
Molecular Weight336.18 g/mol
Exact Mass335.02
IUPAC Name(Z)-2-cyano-3-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)prop-2-enamide
SMILESN#C/C(=C/Nc1cccc(Cl)c1Cl)C(=O)NCc1ccco1
InChIInChI=1S/C15H11Cl2N3O2/c16-12-4-1-5-13(14(12)17)19-8-10(7-18)15(21)20-9-11-3-2-6-22-11/h1-6,8,19H,9H2,(H,20,21)/b10-8-
InChIKeyHXGULHQICVVLJW-NTMALXAHSA-N
XLogP3.72
TPSA78.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-2-cyano-3-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)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

(Z)-2-cyano-3-(3,4-dichloroanilino)-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863270
(Z)-3-(2-chloro-5-nitroanilino)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863351
3-(5-chloro-2-methoxyanilino)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 3841376
(Z)-3-(3-bromoanilino)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863478
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylanilino)prop-2-enamide
CID 108863363
2-cyano-3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 789481
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(4-methoxyanilino)prop-2-enamide
CID 108863285
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(2,4,4-trimethylpentan-2-ylamino)prop-2-enamide
CID 108863444
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylbutylamino)prop-2-enamide
CID 108863540
(Z)-2-cyano-3-(2,3-dichloroanilino)-N-(3-ethoxypropyl)prop-2-enamide
CID 108833942
(E)-2-cyano-N-(furan-2-ylmethyl)-3-(2-iodophenyl)prop-2-enamide
CID 2688552
2-chloro-N-[3-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]phenyl]benzamide
CID 7911773

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)prop-2-enamide (CID 108863279) is (Z)-2-cyano-3-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)prop-2-enamide is N#C/C(=C/Nc1cccc(Cl)c1Cl)C(=O)NCc1ccco1.
What is the InChIKey of (Z)-2-cyano-3-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)prop-2-enamide?
The InChIKey is HXGULHQICVVLJW-NTMALXAHSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2/c16-12-4-1-5-13(14(12)17)19-8-10(7-18)15(21)20-9-11-3-2-6-22-11/h1-6,8,19H,9H2,(H,20,21)/b10-8-.
What are the key properties of (Z)-2-cyano-3-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)prop-2-enamide?
(Z)-2-cyano-3-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)prop-2-enamide has a molecular weight of 336.18 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 108863279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).