(Z)-2-cyano-3-(3,5-dichloroanilino)-N,N-bis(prop-2-enyl)prop-2-enamide

C16H15Cl2N3O — CID 108861275

IUPAC(Z)-2-cyano-3-(3,5-dichloroanilino)-N,N-bis(prop-2-enyl)prop-2-enamide
SMILESC=CCN(CC=C)C(=O)/C(C#N)=C\Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H15Cl2N3O/c1-3-5-21(6-4-2)16(22)12(10-19)11-20-15-8-13(17)7-14(18)9-15/h3-4,7-9,11,20H,1-2,5-6H2/b12-11-
InChIKeyBHQYDNXJHKRTKA-QXMHVHEDSA-N
MW336.22 g/mol
LogP4.01
Rot. Bonds7

About (Z)-2-cyano-3-(3,5-dichloroanilino)-N,N-bis(prop-2-enyl)prop-2-enamide

(Z)-2-cyano-3-(3,5-dichloroanilino)-N,N-bis(prop-2-enyl)prop-2-enamide (PubChem CID 108861275) has the molecular formula C16H15Cl2N3O and a molecular weight of 336.22 g/mol. Its IUPAC name is (Z)-2-cyano-3-(3,5-dichloroanilino)-N,N-bis(prop-2-enyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(3,5-dichloroanilino)-N,N-bis(prop-2-enyl)prop-2-enamide
PubChem CID108861275
Molecular FormulaC16H15Cl2N3O
Molecular Weight336.22 g/mol
Exact Mass335.06
IUPAC Name(Z)-2-cyano-3-(3,5-dichloroanilino)-N,N-bis(prop-2-enyl)prop-2-enamide
SMILESC=CCN(CC=C)C(=O)/C(C#N)=C\Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H15Cl2N3O/c1-3-5-21(6-4-2)16(22)12(10-19)11-20-15-8-13(17)7-14(18)9-15/h3-4,7-9,11,20H,1-2,5-6H2/b12-11-
InChIKeyBHQYDNXJHKRTKA-QXMHVHEDSA-N
XLogP4.01
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(3,5-dichloroanilino)-N,N-bis(prop-2-enyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(3,5-dichloroanilino)-N,N-bis(prop-2-enyl)prop-2-enamide (CID 108861275) is (Z)-2-cyano-3-(3,5-dichloroanilino)-N,N-bis(prop-2-enyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(3,5-dichloroanilino)-N,N-bis(prop-2-enyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(3,5-dichloroanilino)-N,N-bis(prop-2-enyl)prop-2-enamide is C=CCN(CC=C)C(=O)/C(C#N)=C\Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of (Z)-2-cyano-3-(3,5-dichloroanilino)-N,N-bis(prop-2-enyl)prop-2-enamide?
The InChIKey is BHQYDNXJHKRTKA-QXMHVHEDSA-N. The full InChI is InChI=1S/C16H15Cl2N3O/c1-3-5-21(6-4-2)16(22)12(10-19)11-20-15-8-13(17)7-14(18)9-15/h3-4,7-9,11,20H,1-2,5-6H2/b12-11-.
What are the key properties of (Z)-2-cyano-3-(3,5-dichloroanilino)-N,N-bis(prop-2-enyl)prop-2-enamide?
(Z)-2-cyano-3-(3,5-dichloroanilino)-N,N-bis(prop-2-enyl)prop-2-enamide has a molecular weight of 336.22 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(3,5-dichloroanilino)-N,N-bis(prop-2-enyl)prop-2-enamide is sourced from PubChem (CID 108861275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).