(E)-3-(4-chlorophenyl)-N-methoxyprop-2-enamide

C10H10ClNO2 — CID 47129295

IUPAC(E)-3-(4-chlorophenyl)-N-methoxyprop-2-enamide
SMILESCONC(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO2/c1-14-12-10(13)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3,(H,12,13)/b7-4+
InChIKeyHKQFWPPFJDXPSS-QPJJXVBHSA-N
MW211.65 g/mol
LogP2.03
Rot. Bonds3

About (E)-3-(4-chlorophenyl)-N-methoxyprop-2-enamide

(E)-3-(4-chlorophenyl)-N-methoxyprop-2-enamide (PubChem CID 47129295) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-methoxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-methoxyprop-2-enamide
PubChem CID47129295
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name(E)-3-(4-chlorophenyl)-N-methoxyprop-2-enamide
SMILESCONC(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO2/c1-14-12-10(13)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3,(H,12,13)/b7-4+
InChIKeyHKQFWPPFJDXPSS-QPJJXVBHSA-N
XLogP2.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-3-(2,4-Dichlorophenyl)-N-hydroxyacrylamide
CID 11708451
N-Hydroxy-E-3-(4''-chlorobiphenyl-4-yl)-acrylamide
CID 15986508
(2E)-3-(4-Chlorophenyl)-N-hydroxyacrylamide
CID 11694089
(2E)-3-(4-chloro-2-methylphenyl)-N-hydroxyprop-2-enamide
CID 24860349
(2E)-3-[4-chloro-2-(trifluoromethyl)phenyl]-N-hydroxyprop-2-enamide
CID 24860350
(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
p-Chlorocinnamic acid hydrazide
CID 5891573
Cinnamamide, p-chloro-alpha,beta-dimethyl-, (E)-
CID 3033653
(2E,4E)-N-hydroxy-4-methyl-5-phenylpenta-2,4-dienamide
CID 11672892

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-methoxyprop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-methoxyprop-2-enamide (CID 47129295) is (E)-3-(4-chlorophenyl)-N-methoxyprop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-methoxyprop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-methoxyprop-2-enamide is CONC(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-methoxyprop-2-enamide?
The InChIKey is HKQFWPPFJDXPSS-QPJJXVBHSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-14-12-10(13)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3,(H,12,13)/b7-4+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-methoxyprop-2-enamide?
(E)-3-(4-chlorophenyl)-N-methoxyprop-2-enamide has a molecular weight of 211.65 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-methoxyprop-2-enamide is sourced from PubChem (CID 47129295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).