5-(3,4-dichlorophenyl)-5-(methoxyamino)pent-4-enamide

C12H14Cl2N2O2 — CID 90976881

IUPAC5-(3,4-dichlorophenyl)-5-(methoxyamino)pent-4-enamide
SMILESCONC(=CCCC(N)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2O2/c1-18-16-11(3-2-4-12(15)17)8-5-6-9(13)10(14)7-8/h3,5-7,16H,2,4H2,1H3,(H2,15,17)
InChIKeyVFVDHFKGTXRJSF-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.75
Rot. Bonds6

About 5-(3,4-dichlorophenyl)-5-(methoxyamino)pent-4-enamide

5-(3,4-dichlorophenyl)-5-(methoxyamino)pent-4-enamide (PubChem CID 90976881) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-5-(methoxyamino)pent-4-enamide.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-5-(methoxyamino)pent-4-enamide
PubChem CID90976881
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name5-(3,4-dichlorophenyl)-5-(methoxyamino)pent-4-enamide
SMILESCONC(=CCCC(N)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2O2/c1-18-16-11(3-2-4-12(15)17)8-5-6-9(13)10(14)7-8/h3,5-7,16H,2,4H2,1H3,(H2,15,17)
InChIKeyVFVDHFKGTXRJSF-UHFFFAOYSA-N
XLogP2.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4-dichlorophenyl)-5-(methoxyamino)pent-4-enoic acid
CID 91151521
1-(3,4-dichlorophenyl)-N-methoxy-3-nitroprop-1-en-1-amine
CID 91024245
4-(3,4-dichlorophenyl)-4-(methoxyamino)-N-(1,2-oxazol-3-yl)but-3-enamide
CID 91400354
N-[(2S)-5-amino-5-oxopentan-2-yl]-3,4-dichlorobenzamide;sulfane
CID 157235630
methyl 4-[4-(3,4-dichlorobenzoyl)benzoyl]benzoate
CID 10409472
2-chloro-1-(3,4-dichlorophenyl)-N-methoxyprop-1-en-1-amine
CID 91162721
ethyl 3-(3,4-dichlorophenyl)-3-oxopropanoate
CID 2758176
2-methylpropyl 3,4-dichlorobenzoate
CID 82186391
methyl 2-amino-3-(3,4-dichlorophenyl)-3-oxopropanoate
CID 68768648
N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 9295430
3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-N-methoxybicyclo[1.1.1]pentane-1-carboxamide
CID 163425201
(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-5-(methoxyamino)pent-4-enamide?
The IUPAC name of 5-(3,4-dichlorophenyl)-5-(methoxyamino)pent-4-enamide (CID 90976881) is 5-(3,4-dichlorophenyl)-5-(methoxyamino)pent-4-enamide.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-5-(methoxyamino)pent-4-enamide?
The canonical SMILES for 5-(3,4-dichlorophenyl)-5-(methoxyamino)pent-4-enamide is CONC(=CCCC(N)=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-5-(methoxyamino)pent-4-enamide?
The InChIKey is VFVDHFKGTXRJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-18-16-11(3-2-4-12(15)17)8-5-6-9(13)10(14)7-8/h3,5-7,16H,2,4H2,1H3,(H2,15,17).
What are the key properties of 5-(3,4-dichlorophenyl)-5-(methoxyamino)pent-4-enamide?
5-(3,4-dichlorophenyl)-5-(methoxyamino)pent-4-enamide has a molecular weight of 289.16 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-5-(methoxyamino)pent-4-enamide is sourced from PubChem (CID 90976881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).