(E)-3-(2,4-dichlorophenyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]prop-2-enamide

C19H19Cl2NO2 — CID 99996229

IUPAC(E)-3-(2,4-dichlorophenyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]prop-2-enamide
SMILESCc1ccccc1OC[C@@H](C)NC(=O)/C=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2NO2/c1-13-5-3-4-6-18(13)24-12-14(2)22-19(23)10-8-15-7-9-16(20)11-17(15)21/h3-11,14H,12H2,1-2H3,(H,22,23)/b10-8+/t14-/m1/s1
InChIKeyVIYUOXOWCSKRHB-QSYFUGGGSA-N
MW364.27 g/mol
LogP4.90
Rot. Bonds6

About (E)-3-(2,4-dichlorophenyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]prop-2-enamide

(E)-3-(2,4-dichlorophenyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]prop-2-enamide (PubChem CID 99996229) has the molecular formula C19H19Cl2NO2 and a molecular weight of 364.27 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dichlorophenyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]prop-2-enamide
PubChem CID99996229
Molecular FormulaC19H19Cl2NO2
Molecular Weight364.27 g/mol
Exact Mass363.08
IUPAC Name(E)-3-(2,4-dichlorophenyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]prop-2-enamide
SMILESCc1ccccc1OC[C@@H](C)NC(=O)/C=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2NO2/c1-13-5-3-4-6-18(13)24-12-14(2)22-19(23)10-8-15-7-9-16(20)11-17(15)21/h3-11,14H,12H2,1-2H3,(H,22,23)/b10-8+/t14-/m1/s1
InChIKeyVIYUOXOWCSKRHB-QSYFUGGGSA-N
XLogP4.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 54.90
H-Bond Donors ≤ 51
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-methoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]prop-2-enamide
CID 132651000
3-chloro-N-[1-(2-methylphenoxy)propan-2-yl]benzamide
CID 50874611
3-(2,4-dichlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide
CID 2931488
4-chloro-2-fluoro-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide
CID 95161875
2-(3-chlorophenyl)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 133199387
diethyl 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propanedioate
CID 33239901
2-(3-chlorophenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide
CID 132652826
2-(2-chlorophenyl)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 133166960
(E)-3-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]prop-2-enamide
CID 94843398
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43895945
2-[2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]ethoxy]propanoic acid
CID 110495196
1-(3-chlorophenyl)-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]thiourea
CID 95045497

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]prop-2-enamide (CID 99996229) is (E)-3-(2,4-dichlorophenyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dichlorophenyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dichlorophenyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]prop-2-enamide is Cc1ccccc1OC[C@@H](C)NC(=O)/C=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of (E)-3-(2,4-dichlorophenyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]prop-2-enamide?
The InChIKey is VIYUOXOWCSKRHB-QSYFUGGGSA-N. The full InChI is InChI=1S/C19H19Cl2NO2/c1-13-5-3-4-6-18(13)24-12-14(2)22-19(23)10-8-15-7-9-16(20)11-17(15)21/h3-11,14H,12H2,1-2H3,(H,22,23)/b10-8+/t14-/m1/s1.
What are the key properties of (E)-3-(2,4-dichlorophenyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]prop-2-enamide?
(E)-3-(2,4-dichlorophenyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]prop-2-enamide has a molecular weight of 364.27 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dichlorophenyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]prop-2-enamide is sourced from PubChem (CID 99996229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).