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

C14H17Cl2NO2 — CID 107318451

IUPAC(E)-3-(2,4-dichlorophenyl)-N-(5-hydroxypentyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)NCCCCCO
InChIInChI=1S/C14H17Cl2NO2/c15-12-6-4-11(13(16)10-12)5-7-14(19)17-8-2-1-3-9-18/h4-7,10,18H,1-3,8-9H2,(H,17,19)/b7-5+
InChIKeyVICLEGJCBRBZLR-FNORWQNLSA-N
MW302.20 g/mol
LogP3.29
Rot. Bonds7

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

(E)-3-(2,4-dichlorophenyl)-N-(5-hydroxypentyl)prop-2-enamide (PubChem CID 107318451) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenyl)-N-(5-hydroxypentyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dichlorophenyl)-N-(5-hydroxypentyl)prop-2-enamide
PubChem CID107318451
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name(E)-3-(2,4-dichlorophenyl)-N-(5-hydroxypentyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)NCCCCCO
InChIInChI=1S/C14H17Cl2NO2/c15-12-6-4-11(13(16)10-12)5-7-14(19)17-8-2-1-3-9-18/h4-7,10,18H,1-3,8-9H2,(H,17,19)/b7-5+
InChIKeyVICLEGJCBRBZLR-FNORWQNLSA-N
XLogP3.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.29
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-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 6113892
(E)-N-(4-aminobutyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 82335727
N-[2-(3-chlorophenyl)ethyl]-3-(2,4-dichlorophenyl)prop-2-enamide
CID 5056399
2-[3-(2,4-dichlorophenyl)prop-2-enoylamino]acetic acid
CID 3322960
(E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide
CID 6166785
(E)-3-(2,4-dichlorophenyl)-N-(3-hydroxypentyl)prop-2-enamide
CID 115703845
(E)-3-(3-chloro-4-methylphenyl)-N-(6-hydroxyhexyl)prop-2-enamide
CID 103919248
5-[3-(2,5-dichlorophenyl)prop-2-enoylamino]pentanoic acid
CID 76931623
(E)-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-3-(2,4-dichlorophenyl)prop-2-enamide
CID 51604937
(E)-3-(2,4-dimethylphenyl)-N-(4-hydroxybutyl)prop-2-enamide
CID 106842991
(E)-3-(2-chloro-6-fluorophenyl)-N-(6-hydroxyhexyl)prop-2-enamide
CID 103919047
2-[[2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid
CID 43387467

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-(5-hydroxypentyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-(5-hydroxypentyl)prop-2-enamide (CID 107318451) is (E)-3-(2,4-dichlorophenyl)-N-(5-hydroxypentyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dichlorophenyl)-N-(5-hydroxypentyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dichlorophenyl)-N-(5-hydroxypentyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1Cl)NCCCCCO.
What is the InChIKey of (E)-3-(2,4-dichlorophenyl)-N-(5-hydroxypentyl)prop-2-enamide?
The InChIKey is VICLEGJCBRBZLR-FNORWQNLSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c15-12-6-4-11(13(16)10-12)5-7-14(19)17-8-2-1-3-9-18/h4-7,10,18H,1-3,8-9H2,(H,17,19)/b7-5+.
What are the key properties of (E)-3-(2,4-dichlorophenyl)-N-(5-hydroxypentyl)prop-2-enamide?
(E)-3-(2,4-dichlorophenyl)-N-(5-hydroxypentyl)prop-2-enamide has a molecular weight of 302.20 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dichlorophenyl)-N-(5-hydroxypentyl)prop-2-enamide is sourced from PubChem (CID 107318451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).