(E)-3-(2,4-dichlorophenyl)prop-2-enamide

C9H7Cl2NO — CID 1277610

IUPAC(E)-3-(2,4-dichlorophenyl)prop-2-enamide
SMILESNC(=O)/C=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H7Cl2NO/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H2,12,13)/b4-2+
InChIKeyFUWAUCZWCQWBLL-DUXPYHPUSA-N
MW216.07 g/mol
LogP2.49
Rot. Bonds2

About (E)-3-(2,4-dichlorophenyl)prop-2-enamide

(E)-3-(2,4-dichlorophenyl)prop-2-enamide (PubChem CID 1277610) has the molecular formula C9H7Cl2NO and a molecular weight of 216.07 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dichlorophenyl)prop-2-enamide
PubChem CID1277610
Molecular FormulaC9H7Cl2NO
Molecular Weight216.07 g/mol
Exact Mass214.99
IUPAC Name(E)-3-(2,4-dichlorophenyl)prop-2-enamide
SMILESNC(=O)/C=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H7Cl2NO/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H2,12,13)/b4-2+
InChIKeyFUWAUCZWCQWBLL-DUXPYHPUSA-N
XLogP2.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.07
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-3-(2,4-Dichlorophenyl)-N-hydroxyacrylamide
CID 11708451
(2E)-3-(4-Chlorophenyl)-N-hydroxyacrylamide
CID 11694089
(2E)-3-(4-Chlorophenyl)-2-cyano-2-propenamide
CID 2063965
(2E)-3-(2,4-dichlorophenyl)prop-2-enehydrazide
CID 5924112
(2E)-3-(4-chloro-2-fluorophenyl)-N-hydroxyprop-2-enamide
CID 24860344
(~{E})-3-(2-chlorophenyl)-~{N}-oxidanyl-prop-2-enamide
CID 53374623
(2E,4E)-5-(4-Chlorophenyl)-N-hydroxy-2,4-pentadienamide
CID 11651487
(2E,4E)-5-(4-chlorophenyl)-N-hydroxy-4-methylpenta-2,4-dienamide
CID 11687325
5-(2,4-Dichlorobenzyl)-4,6-dimethyl-2-pyridinol
CID 4538648
4-(2,4-Dichlorophenyl)but-3-en-2-one
CID 5849647
Cinnamamide, p-chloro-alpha,beta-dimethyl-, (E)-
CID 3033653
(2E)-2-(4,6-dichloro-2,3-dihydroinden-1-ylidene)acetamide
CID 10911696

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,4-dichlorophenyl)prop-2-enamide (CID 1277610) is (E)-3-(2,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dichlorophenyl)prop-2-enamide is NC(=O)/C=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of (E)-3-(2,4-dichlorophenyl)prop-2-enamide?
The InChIKey is FUWAUCZWCQWBLL-DUXPYHPUSA-N. The full InChI is InChI=1S/C9H7Cl2NO/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H2,12,13)/b4-2+.
What are the key properties of (E)-3-(2,4-dichlorophenyl)prop-2-enamide?
(E)-3-(2,4-dichlorophenyl)prop-2-enamide has a molecular weight of 216.07 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 1277610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).