(E)-3-(3,5-dichlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide

C15H19Cl2NO2 — CID 103771463

IUPAC(E)-3-(3,5-dichlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide
SMILESCC(C)CC(O)CNC(=O)/C=C/c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H19Cl2NO2/c1-10(2)5-14(19)9-18-15(20)4-3-11-6-12(16)8-13(17)7-11/h3-4,6-8,10,14,19H,5,9H2,1-2H3,(H,18,20)/b4-3+
InChIKeyRDXJHIJGTQHCDK-ONEGZZNKSA-N
MW316.23 g/mol
LogP3.53
Rot. Bonds6

About (E)-3-(3,5-dichlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide

(E)-3-(3,5-dichlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide (PubChem CID 103771463) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is (E)-3-(3,5-dichlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,5-dichlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide
PubChem CID103771463
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name(E)-3-(3,5-dichlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide
SMILESCC(C)CC(O)CNC(=O)/C=C/c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H19Cl2NO2/c1-10(2)5-14(19)9-18-15(20)4-3-11-6-12(16)8-13(17)7-11/h3-4,6-8,10,14,19H,5,9H2,1-2H3,(H,18,20)/b4-3+
InChIKeyRDXJHIJGTQHCDK-ONEGZZNKSA-N
XLogP3.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.53
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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Related Compounds

(E)-3-(3-chlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide
CID 103771519
3-(3,5-dichlorophenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
CID 77055769
(E)-N-(2-hydroxy-4-methylpentyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 103771207
(E)-3-(3-chlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide
CID 43418514
3-(3-chloro-4-methylphenyl)-N-(2,3-dihydroxypropyl)prop-2-enamide
CID 77114123
(E)-N-(2-hydroxy-4-methylpentyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 103771088
(E)-3-(3-chloro-4-methylphenyl)-N-(2-hydroxy-3-methylbutyl)prop-2-enamide
CID 115746114
(2R)-2-[3-(3,5-dichlorophenyl)prop-2-enoylamino]propanoic acid
CID 78972903
(E)-N-(2-hydroxy-4-methylpentyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 113258722
2-[[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]amino]-3-methylbutanoic acid
CID 43354096
(E)-3-(3,5-dichlorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]prop-2-enamide
CID 113351938
(E)-3-(3,4-dichlorophenyl)-N-[2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 6176554

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,5-dichlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide?
The IUPAC name of (E)-3-(3,5-dichlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide (CID 103771463) is (E)-3-(3,5-dichlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,5-dichlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,5-dichlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide is CC(C)CC(O)CNC(=O)/C=C/c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (E)-3-(3,5-dichlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide?
The InChIKey is RDXJHIJGTQHCDK-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-10(2)5-14(19)9-18-15(20)4-3-11-6-12(16)8-13(17)7-11/h3-4,6-8,10,14,19H,5,9H2,1-2H3,(H,18,20)/b4-3+.
What are the key properties of (E)-3-(3,5-dichlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide?
(E)-3-(3,5-dichlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide has a molecular weight of 316.23 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,5-dichlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide is sourced from PubChem (CID 103771463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).