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

C20H19Cl3N2O — CID 3449576

IUPACN-(3-chloro-4-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1Cl)Nc1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C20H19Cl3N2O/c21-15-6-4-14(17(22)12-15)5-9-20(26)24-16-7-8-19(18(23)13-16)25-10-2-1-3-11-25/h4-9,12-13H,1-3,10-11H2,(H,24,26)
InChIKeyFESDUJXZYKTQRV-UHFFFAOYSA-N
MW409.74 g/mol
LogP6.29
Rot. Bonds4

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

N-(3-chloro-4-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide (PubChem CID 3449576) has the molecular formula C20H19Cl3N2O and a molecular weight of 409.74 g/mol. Its IUPAC name is N-(3-chloro-4-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-chloro-4-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
PubChem CID3449576
Molecular FormulaC20H19Cl3N2O
Molecular Weight409.74 g/mol
Exact Mass408.06
IUPAC NameN-(3-chloro-4-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1Cl)Nc1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C20H19Cl3N2O/c21-15-6-4-14(17(22)12-15)5-9-20(26)24-16-7-8-19(18(23)13-16)25-10-2-1-3-11-25/h4-9,12-13H,1-3,10-11H2,(H,24,26)
InChIKeyFESDUJXZYKTQRV-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': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2,4-dichlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 17070631
N-(3-chloro-2-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 4590668
(E)-N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 21371931
3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 3487324
4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzoic acid
CID 45426606
(E)-3-(2,4-dichlorophenyl)-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enamide
CID 70303376
(E)-3-(2,4-dichlorophenyl)-N-[4-[[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]methyl]phenyl]prop-2-enamide
CID 6184980
(E)-3-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide
CID 100508734
3-(2,4-dichlorophenyl)-N-pyridin-1-ium-4-ylprop-2-enamide
CID 4745023
(E)-3-(2,4-dichlorophenyl)-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]prop-2-enamide
CID 17115724
(E)-3-(2,4-dichlorophenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 6053257
N-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 1348173

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of N-(3-chloro-4-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide (CID 3449576) is N-(3-chloro-4-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for N-(3-chloro-4-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for N-(3-chloro-4-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide is O=C(C=Cc1ccc(Cl)cc1Cl)Nc1ccc(N2CCCCC2)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
The InChIKey is FESDUJXZYKTQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl3N2O/c21-15-6-4-14(17(22)12-15)5-9-20(26)24-16-7-8-19(18(23)13-16)25-10-2-1-3-11-25/h4-9,12-13H,1-3,10-11H2,(H,24,26).
What are the key properties of N-(3-chloro-4-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
N-(3-chloro-4-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-4-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 3449576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).