N-(3-chloro-2-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide

C20H19Cl3N2O — CID 4590668

IUPACN-(3-chloro-2-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1Cl)Nc1cccc(Cl)c1N1CCCCC1
InChIInChI=1S/C20H19Cl3N2O/c21-15-9-7-14(17(23)13-15)8-10-19(26)24-18-6-4-5-16(22)20(18)25-11-2-1-3-12-25/h4-10,13H,1-3,11-12H2,(H,24,26)
InChIKeySJNJGJMZYBGYND-UHFFFAOYSA-N
MW409.74 g/mol
LogP6.29
Rot. Bonds4

About N-(3-chloro-2-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide

N-(3-chloro-2-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide (PubChem CID 4590668) has the molecular formula C20H19Cl3N2O and a molecular weight of 409.74 g/mol. Its IUPAC name is N-(3-chloro-2-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-chloro-2-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
PubChem CID4590668
Molecular FormulaC20H19Cl3N2O
Molecular Weight409.74 g/mol
Exact Mass408.06
IUPAC NameN-(3-chloro-2-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1Cl)Nc1cccc(Cl)c1N1CCCCC1
InChIInChI=1S/C20H19Cl3N2O/c21-15-9-7-14(17(23)13-15)8-10-19(26)24-18-6-4-5-16(22)20(18)25-11-2-1-3-12-25/h4-10,13H,1-3,11-12H2,(H,24,26)
InChIKeySJNJGJMZYBGYND-UHFFFAOYSA-N
XLogP6.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.74
LogP ≤ 56.29
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

3-(4-chlorophenyl)-N-(3-chloro-2-piperidin-1-ylphenyl)prop-2-enamide
CID 4028317
3-(2,4-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 1318837
N-(3-chloro-4-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 3449576
3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700917
(E)-3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700919
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 3962327
3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 3487324
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 4619915
3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 966049
N-(3-chloro-2-piperidin-1-ylphenyl)benzamide
CID 952564
(E)-3-(2,4-dichlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 17070631
(E)-N-(4-amino-2-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 28867729

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of N-(3-chloro-2-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide (CID 4590668) is N-(3-chloro-2-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for N-(3-chloro-2-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for N-(3-chloro-2-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide is O=C(C=Cc1ccc(Cl)cc1Cl)Nc1cccc(Cl)c1N1CCCCC1.
What is the InChIKey of N-(3-chloro-2-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
The InChIKey is SJNJGJMZYBGYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl3N2O/c21-15-9-7-14(17(23)13-15)8-10-19(26)24-18-6-4-5-16(22)20(18)25-11-2-1-3-12-25/h4-10,13H,1-3,11-12H2,(H,24,26).
What are the key properties of N-(3-chloro-2-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
N-(3-chloro-2-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide has a molecular weight of 409.74 g/mol, XLogP of 6.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 4590668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).