N-(3,4-difluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]acetamide

C20H19F3N2O — CID 68552352

IUPACN-(3,4-difluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]acetamide
SMILESO=C(C=C1CCN(Cc2ccc(F)cc2)CC1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C20H19F3N2O/c21-16-3-1-15(2-4-16)13-25-9-7-14(8-10-25)11-20(26)24-17-5-6-18(22)19(23)12-17/h1-6,11-12H,7-10,13H2,(H,24,26)
InChIKeyPEKRUHUUYVYDTB-UHFFFAOYSA-N
MW360.38 g/mol
LogP4.26
Rot. Bonds4

About N-(3,4-difluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]acetamide

N-(3,4-difluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]acetamide (PubChem CID 68552352) has the molecular formula C20H19F3N2O and a molecular weight of 360.38 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]acetamide
PubChem CID68552352
Molecular FormulaC20H19F3N2O
Molecular Weight360.38 g/mol
Exact Mass360.14
IUPAC NameN-(3,4-difluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]acetamide
SMILESO=C(C=C1CCN(Cc2ccc(F)cc2)CC1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C20H19F3N2O/c21-16-3-1-15(2-4-16)13-25-9-7-14(8-10-25)11-20(26)24-17-5-6-18(22)19(23)12-17/h1-6,11-12H,7-10,13H2,(H,24,26)
InChIKeyPEKRUHUUYVYDTB-UHFFFAOYSA-N
XLogP4.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 54.26
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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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]acetamide (CID 68552352) is N-(3,4-difluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]acetamide is O=C(C=C1CCN(Cc2ccc(F)cc2)CC1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]acetamide?
The InChIKey is PEKRUHUUYVYDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O/c21-16-3-1-15(2-4-16)13-25-9-7-14(8-10-25)11-20(26)24-17-5-6-18(22)19(23)12-17/h1-6,11-12H,7-10,13H2,(H,24,26).
What are the key properties of N-(3,4-difluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]acetamide?
N-(3,4-difluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]acetamide has a molecular weight of 360.38 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]acetamide is sourced from PubChem (CID 68552352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).