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

C20H20Cl2N2O — CID 4028317

IUPAC3-(4-chlorophenyl)-N-(3-chloro-2-piperidin-1-ylphenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)Nc1cccc(Cl)c1N1CCCCC1
InChIInChI=1S/C20H20Cl2N2O/c21-16-10-7-15(8-11-16)9-12-19(25)23-18-6-4-5-17(22)20(18)24-13-2-1-3-14-24/h4-12H,1-3,13-14H2,(H,23,25)
InChIKeyUDPYYZBPQGFMBV-UHFFFAOYSA-N
MW375.30 g/mol
LogP5.64
Rot. Bonds4

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

3-(4-chlorophenyl)-N-(3-chloro-2-piperidin-1-ylphenyl)prop-2-enamide (PubChem CID 4028317) has the molecular formula C20H20Cl2N2O and a molecular weight of 375.30 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(3-chloro-2-piperidin-1-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(3-chloro-2-piperidin-1-ylphenyl)prop-2-enamide
PubChem CID4028317
Molecular FormulaC20H20Cl2N2O
Molecular Weight375.30 g/mol
Exact Mass374.10
IUPAC Name3-(4-chlorophenyl)-N-(3-chloro-2-piperidin-1-ylphenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)Nc1cccc(Cl)c1N1CCCCC1
InChIInChI=1S/C20H20Cl2N2O/c21-16-10-7-15(8-11-16)9-12-19(25)23-18-6-4-5-17(22)20(18)24-13-2-1-3-14-24/h4-12H,1-3,13-14H2,(H,23,25)
InChIKeyUDPYYZBPQGFMBV-UHFFFAOYSA-N
XLogP5.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.30
LogP ≤ 55.64
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

N-(3-chloro-2-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 4590668
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 3962327
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide
CID 4997463
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(4-chlorophenyl)prop-2-enamide
CID 71964937
N-(3-chloro-2-piperidin-1-ylphenyl)benzamide
CID 952564
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-(4-chloro-3-nitrophenyl)prop-2-enamide
CID 5213193
(E)-3-(4-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]prop-2-enamide
CID 122320289
3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide
CID 3324390
2-(4-chlorophenyl)-N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]acetamide
CID 3933868
(E)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide
CID 26520222
N-(3-chloro-2-piperidin-1-ylphenyl)-4-methylbenzamide
CID 952476
(E)-N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide
CID 17066273

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(3-chloro-2-piperidin-1-ylphenyl)prop-2-enamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(3-chloro-2-piperidin-1-ylphenyl)prop-2-enamide (CID 4028317) is 3-(4-chlorophenyl)-N-(3-chloro-2-piperidin-1-ylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(3-chloro-2-piperidin-1-ylphenyl)prop-2-enamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(3-chloro-2-piperidin-1-ylphenyl)prop-2-enamide is O=C(C=Cc1ccc(Cl)cc1)Nc1cccc(Cl)c1N1CCCCC1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(3-chloro-2-piperidin-1-ylphenyl)prop-2-enamide?
The InChIKey is UDPYYZBPQGFMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O/c21-16-10-7-15(8-11-16)9-12-19(25)23-18-6-4-5-17(22)20(18)24-13-2-1-3-14-24/h4-12H,1-3,13-14H2,(H,23,25).
What are the key properties of 3-(4-chlorophenyl)-N-(3-chloro-2-piperidin-1-ylphenyl)prop-2-enamide?
3-(4-chlorophenyl)-N-(3-chloro-2-piperidin-1-ylphenyl)prop-2-enamide has a molecular weight of 375.30 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(3-chloro-2-piperidin-1-ylphenyl)prop-2-enamide is sourced from PubChem (CID 4028317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).