(E)-3-(2,6-dichlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide

C12H13Cl2NO2 — CID 43418447

IUPAC(E)-3-(2,6-dichlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide
SMILESCC(O)CNC(=O)/C=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C12H13Cl2NO2/c1-8(16)7-15-12(17)6-5-9-10(13)3-2-4-11(9)14/h2-6,8,16H,7H2,1H3,(H,15,17)/b6-5+
InChIKeyMRVADZHPVLMSNX-AATRIKPKSA-N
MW274.15 g/mol
LogP2.50
Rot. Bonds4

About (E)-3-(2,6-dichlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide

(E)-3-(2,6-dichlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide (PubChem CID 43418447) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is (E)-3-(2,6-dichlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,6-dichlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide
PubChem CID43418447
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Name(E)-3-(2,6-dichlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide
SMILESCC(O)CNC(=O)/C=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C12H13Cl2NO2/c1-8(16)7-15-12(17)6-5-9-10(13)3-2-4-11(9)14/h2-6,8,16H,7H2,1H3,(H,15,17)/b6-5+
InChIKeyMRVADZHPVLMSNX-AATRIKPKSA-N
XLogP2.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.50
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-(2-chloro-6-fluorophenyl)-N-[(2R)-2-hydroxypropyl]prop-2-enamide
CID 83059477
(E)-3-(2-chloro-6-fluorophenyl)-N-(2-hydroxypropyl)prop-2-enamide
CID 43418406
2-[[3-(2,6-dichlorophenyl)prop-2-enoylamino]methyl]-3-methylbutanoic acid
CID 77061324
(E)-3-(3-chlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide
CID 43418514
3-(2,6-dichlorophenyl)-N-propylprop-2-enamide
CID 2930612
3-[[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]methyl]pentanoic acid
CID 81067004
(E)-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 43388952
3-(2,6-dichlorophenyl)-N-(2-hydroxy-2-methylpropyl)prop-2-enamide
CID 77056235
(E)-3-(2,6-dichlorophenyl)-N-(3-hydroxy-2-methylbutan-2-yl)prop-2-enamide
CID 115884301
(E)-3-(2,6-dichlorophenyl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide
CID 103861642
(E)-3-(2-chloro-6-fluorophenyl)-N-(3,3-difluoro-2-hydroxypropyl)prop-2-enamide
CID 103769871
(E)-3-(2,6-dichlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide
CID 9480917

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,6-dichlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,6-dichlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide (CID 43418447) is (E)-3-(2,6-dichlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,6-dichlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,6-dichlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide is CC(O)CNC(=O)/C=C/c1c(Cl)cccc1Cl.
What is the InChIKey of (E)-3-(2,6-dichlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide?
The InChIKey is MRVADZHPVLMSNX-AATRIKPKSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c1-8(16)7-15-12(17)6-5-9-10(13)3-2-4-11(9)14/h2-6,8,16H,7H2,1H3,(H,15,17)/b6-5+.
What are the key properties of (E)-3-(2,6-dichlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide?
(E)-3-(2,6-dichlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide has a molecular weight of 274.15 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,6-dichlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide is sourced from PubChem (CID 43418447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).