(E)-3-(3,5-dichlorophenyl)-N-methylprop-2-enamide

C10H9Cl2NO — CID 47141495

IUPAC(E)-3-(3,5-dichlorophenyl)-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H9Cl2NO/c1-13-10(14)3-2-7-4-8(11)6-9(12)5-7/h2-6H,1H3,(H,13,14)/b3-2+
InChIKeyILHZLBVGZHFZAY-NSCUHMNNSA-N
MW230.09 g/mol
LogP2.75
Rot. Bonds2

About (E)-3-(3,5-dichlorophenyl)-N-methylprop-2-enamide

(E)-3-(3,5-dichlorophenyl)-N-methylprop-2-enamide (PubChem CID 47141495) has the molecular formula C10H9Cl2NO and a molecular weight of 230.09 g/mol. Its IUPAC name is (E)-3-(3,5-dichlorophenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,5-dichlorophenyl)-N-methylprop-2-enamide
PubChem CID47141495
Molecular FormulaC10H9Cl2NO
Molecular Weight230.09 g/mol
Exact Mass229.01
IUPAC Name(E)-3-(3,5-dichlorophenyl)-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H9Cl2NO/c1-13-10(14)3-2-7-4-8(11)6-9(12)5-7/h2-6H,1H3,(H,13,14)/b3-2+
InChIKeyILHZLBVGZHFZAY-NSCUHMNNSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 52.75
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

3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)acrylamide
CID 1644327
3-(2,6-dichlorophenyl)-N-(3-methoxypropyl)acrylamide
CID 2169831
(E)-3-(2-chlorophenyl)-N-pentan-3-ylprop-2-enamide
CID 884882
3-(3-chlorophenyl)-N-(3-methoxypropyl)acrylamide
CID 2169930
N-[3-(3-chlorophenyl)propyl]acetamide
CID 10774874
Cinnamamide, 3-chloro-N-(2-hydroxyethyl)-
CID 6434360
N-allyl-3-(2-chloro-6-fluorophenyl)acrylamide
CID 1744810
3-(2,4-Dichloro-phenyl)-N-(3-methoxy-propyl)-acrylamide
CID 5762009
N-[(E)-2-(3-chlorophenyl)vinyl]acetamide
CID 44426084
Benzenepropenamide, N-butyl-4-chloro-
CID 5374017
(2E)-3-(4-chlorophenyl)-N-(2-methylpropyl)prop-2-enamide
CID 6115285
(2E)-2-(5-chloro-2,3-dihydroinden-1-ylidene)-N-methylacetamide
CID 10911115

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,5-dichlorophenyl)-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(3,5-dichlorophenyl)-N-methylprop-2-enamide (CID 47141495) is (E)-3-(3,5-dichlorophenyl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(3,5-dichlorophenyl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(3,5-dichlorophenyl)-N-methylprop-2-enamide is CNC(=O)/C=C/c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (E)-3-(3,5-dichlorophenyl)-N-methylprop-2-enamide?
The InChIKey is ILHZLBVGZHFZAY-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H9Cl2NO/c1-13-10(14)3-2-7-4-8(11)6-9(12)5-7/h2-6H,1H3,(H,13,14)/b3-2+.
What are the key properties of (E)-3-(3,5-dichlorophenyl)-N-methylprop-2-enamide?
(E)-3-(3,5-dichlorophenyl)-N-methylprop-2-enamide has a molecular weight of 230.09 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,5-dichlorophenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 47141495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).