3-(4-butoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide

C19H19Cl2NO2 — CID 4088773

IUPAC3-(4-butoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
SMILESCCCCOc1ccc(C=CC(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H19Cl2NO2/c1-2-3-12-24-16-8-4-14(5-9-16)6-11-19(23)22-18-10-7-15(20)13-17(18)21/h4-11,13H,2-3,12H2,1H3,(H,22,23)
InChIKeyWAKYAKMILQOCHR-UHFFFAOYSA-N
MW364.27 g/mol
LogP5.82
Rot. Bonds7

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

3-(4-butoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide (PubChem CID 4088773) has the molecular formula C19H19Cl2NO2 and a molecular weight of 364.27 g/mol. Its IUPAC name is 3-(4-butoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-butoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
PubChem CID4088773
Molecular FormulaC19H19Cl2NO2
Molecular Weight364.27 g/mol
Exact Mass363.08
IUPAC Name3-(4-butoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
SMILESCCCCOc1ccc(C=CC(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H19Cl2NO2/c1-2-3-12-24-16-8-4-14(5-9-16)6-11-19(23)22-18-10-7-15(20)13-17(18)21/h4-11,13H,2-3,12H2,1H3,(H,22,23)
InChIKeyWAKYAKMILQOCHR-UHFFFAOYSA-N
XLogP5.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.27
LogP ≤ 55.82
H-Bond Donors ≤ 51
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

3-(4-butoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide
CID 2792142
(E)-N-(2,5-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227087
(E)-3-(4-chlorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 17195487
N-(2-bromo-4-methylphenyl)-3-(4-butoxyphenyl)prop-2-enamide
CID 3590404
(E)-3-(4-bromophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 1290272
N-(2,4-dichlorophenyl)-2-(4-octoxyphenoxy)acetamide
CID 4733017
(E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805515
(E)-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(4-propoxyphenyl)prop-2-enamide
CID 55771053
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-propoxyphenyl)prop-2-enamide
CID 2791739
[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 42985001
(E)-N-(2,4-dichlorophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 31244745
N-(2,4-dichlorophenyl)-4-(4-ethylphenoxy)butanamide
CID 19176294

Frequently Asked Questions

What is the IUPAC name of 3-(4-butoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of 3-(4-butoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide (CID 4088773) is 3-(4-butoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-butoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for 3-(4-butoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide is CCCCOc1ccc(C=CC(=O)Nc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 3-(4-butoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide?
The InChIKey is WAKYAKMILQOCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO2/c1-2-3-12-24-16-8-4-14(5-9-16)6-11-19(23)22-18-10-7-15(20)13-17(18)21/h4-11,13H,2-3,12H2,1H3,(H,22,23).
What are the key properties of 3-(4-butoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide?
3-(4-butoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide has a molecular weight of 364.27 g/mol, XLogP of 5.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 4088773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).