(Z)-3-(3,5-dichloroanilino)prop-2-enamide

C9H8Cl2N2O — CID 134372586

IUPAC(Z)-3-(3,5-dichloroanilino)prop-2-enamide
SMILESNC(=O)/C=C\Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H8Cl2N2O/c10-6-3-7(11)5-8(4-6)13-2-1-9(12)14/h1-5,13H,(H2,12,14)/b2-1-
InChIKeyKKEWBUASUYZNHY-UPHRSURJSA-N
MW231.08 g/mol
LogP2.40
Rot. Bonds3

About (Z)-3-(3,5-dichloroanilino)prop-2-enamide

(Z)-3-(3,5-dichloroanilino)prop-2-enamide (PubChem CID 134372586) has the molecular formula C9H8Cl2N2O and a molecular weight of 231.08 g/mol. Its IUPAC name is (Z)-3-(3,5-dichloroanilino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3,5-dichloroanilino)prop-2-enamide
PubChem CID134372586
Molecular FormulaC9H8Cl2N2O
Molecular Weight231.08 g/mol
Exact Mass230.00
IUPAC Name(Z)-3-(3,5-dichloroanilino)prop-2-enamide
SMILESNC(=O)/C=C\Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H8Cl2N2O/c10-6-3-7(11)5-8(4-6)13-2-1-9(12)14/h1-5,13H,(H2,12,14)/b2-1-
InChIKeyKKEWBUASUYZNHY-UPHRSURJSA-N
XLogP2.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.08
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3,5-dichloroanilino)prop-2-enamide?
The IUPAC name of (Z)-3-(3,5-dichloroanilino)prop-2-enamide (CID 134372586) is (Z)-3-(3,5-dichloroanilino)prop-2-enamide.
What is the SMILES notation for (Z)-3-(3,5-dichloroanilino)prop-2-enamide?
The canonical SMILES for (Z)-3-(3,5-dichloroanilino)prop-2-enamide is NC(=O)/C=C\Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of (Z)-3-(3,5-dichloroanilino)prop-2-enamide?
The InChIKey is KKEWBUASUYZNHY-UPHRSURJSA-N. The full InChI is InChI=1S/C9H8Cl2N2O/c10-6-3-7(11)5-8(4-6)13-2-1-9(12)14/h1-5,13H,(H2,12,14)/b2-1-.
What are the key properties of (Z)-3-(3,5-dichloroanilino)prop-2-enamide?
(Z)-3-(3,5-dichloroanilino)prop-2-enamide has a molecular weight of 231.08 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3,5-dichloroanilino)prop-2-enamide is sourced from PubChem (CID 134372586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).