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

C12H13Cl2NO2 — CID 43417822

IUPAC(E)-3-(3,4-dichlorophenyl)-N-(3-hydroxypropyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCO
InChIInChI=1S/C12H13Cl2NO2/c13-10-4-2-9(8-11(10)14)3-5-12(17)15-6-1-7-16/h2-5,8,16H,1,6-7H2,(H,15,17)/b5-3+
InChIKeyPJAUJSVAEHUXHH-HWKANZROSA-N
MW274.15 g/mol
LogP2.51
Rot. Bonds5

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

(E)-3-(3,4-dichlorophenyl)-N-(3-hydroxypropyl)prop-2-enamide (PubChem CID 43417822) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is (E)-3-(3,4-dichlorophenyl)-N-(3-hydroxypropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dichlorophenyl)-N-(3-hydroxypropyl)prop-2-enamide
PubChem CID43417822
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Name(E)-3-(3,4-dichlorophenyl)-N-(3-hydroxypropyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCO
InChIInChI=1S/C12H13Cl2NO2/c13-10-4-2-9(8-11(10)14)3-5-12(17)15-6-1-7-16/h2-5,8,16H,1,6-7H2,(H,15,17)/b5-3+
InChIKeyPJAUJSVAEHUXHH-HWKANZROSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-chloro-4-methylphenyl)-N-(6-hydroxyhexyl)prop-2-enamide
CID 103919248
3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 4676391
(E)-3-(3,4-dichlorophenyl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide
CID 103861421
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-hydroxyethyl)prop-2-enamide
CID 78783054
3-(3,4-dichlorophenyl)-N-prop-2-enylprop-2-enamide
CID 2933752
3-(3,4-dichlorophenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]prop-2-enamide
CID 77044382
(E)-N-benzyl-3-(3,4-dichlorophenyl)prop-2-enamide
CID 898158
3-(3,4-dichlorophenyl)-N-[[3-[[3-(3,4-dichlorophenyl)prop-2-enoylamino]methyl]phenyl]methyl]prop-2-enamide
CID 3261410
(E)-3-(3-aminophenyl)-N-(3-hydroxypropyl)prop-2-enamide
CID 115342777
(E)-3-(3,4-dichlorophenyl)-N-[2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 6176554
(E)-3-(3-chlorophenyl)-N-[7-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]heptyl]prop-2-enamide
CID 6167041
(E)-3-(4-chlorophenyl)-N-[5-[4-[3-(3,4-dichlorophenyl)prop-2-enoyl]piperazin-1-yl]pentyl]prop-2-enamide
CID 44529356

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dichlorophenyl)-N-(3-hydroxypropyl)prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dichlorophenyl)-N-(3-hydroxypropyl)prop-2-enamide (CID 43417822) is (E)-3-(3,4-dichlorophenyl)-N-(3-hydroxypropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dichlorophenyl)-N-(3-hydroxypropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dichlorophenyl)-N-(3-hydroxypropyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCO.
What is the InChIKey of (E)-3-(3,4-dichlorophenyl)-N-(3-hydroxypropyl)prop-2-enamide?
The InChIKey is PJAUJSVAEHUXHH-HWKANZROSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c13-10-4-2-9(8-11(10)14)3-5-12(17)15-6-1-7-16/h2-5,8,16H,1,6-7H2,(H,15,17)/b5-3+.
What are the key properties of (E)-3-(3,4-dichlorophenyl)-N-(3-hydroxypropyl)prop-2-enamide?
(E)-3-(3,4-dichlorophenyl)-N-(3-hydroxypropyl)prop-2-enamide has a molecular weight of 274.15 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dichlorophenyl)-N-(3-hydroxypropyl)prop-2-enamide is sourced from PubChem (CID 43417822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).