N-[5-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-2,4-difluorophenyl]-2-methylpropanamide

C32H35F4N3O2 — CID 10437982

IUPACN-[5-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-2,4-difluorophenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(C2CCN(CCCNC(=O)C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(F)cc1F
InChIInChI=1S/C32H35F4N3O2/c1-20(2)31(40)38-29-18-26(27(35)19-28(29)36)21-12-16-39(17-13-21)15-3-14-37-32(41)30(22-4-8-24(33)9-5-22)23-6-10-25(34)11-7-23/h4-11,18-21,30H,3,12-17H2,1-2H3,(H,37,41)(H,38,40)
InChIKeyPHZFASCDZWDOQJ-UHFFFAOYSA-N
MW569.64 g/mol
LogP6.36
Rot. Bonds10

About N-[5-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-2,4-difluorophenyl]-2-methylpropanamide

N-[5-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-2,4-difluorophenyl]-2-methylpropanamide (PubChem CID 10437982) has the molecular formula C32H35F4N3O2 and a molecular weight of 569.64 g/mol. Its IUPAC name is N-[5-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-2,4-difluorophenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-2,4-difluorophenyl]-2-methylpropanamide
PubChem CID10437982
Molecular FormulaC32H35F4N3O2
Molecular Weight569.64 g/mol
Exact Mass569.27
IUPAC NameN-[5-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-2,4-difluorophenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(C2CCN(CCCNC(=O)C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(F)cc1F
InChIInChI=1S/C32H35F4N3O2/c1-20(2)31(40)38-29-18-26(27(35)19-28(29)36)21-12-16-39(17-13-21)15-3-14-37-32(41)30(22-4-8-24(33)9-5-22)23-6-10-25(34)11-7-23/h4-11,18-21,30H,3,12-17H2,1-2H3,(H,37,41)(H,38,40)
InChIKeyPHZFASCDZWDOQJ-UHFFFAOYSA-N
XLogP6.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.64
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-2,4-difluorophenyl]-2-methylpropanamide?
The IUPAC name of N-[5-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-2,4-difluorophenyl]-2-methylpropanamide (CID 10437982) is N-[5-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-2,4-difluorophenyl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-2,4-difluorophenyl]-2-methylpropanamide?
The canonical SMILES for N-[5-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-2,4-difluorophenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cc(C2CCN(CCCNC(=O)C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(F)cc1F.
What is the InChIKey of N-[5-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-2,4-difluorophenyl]-2-methylpropanamide?
The InChIKey is PHZFASCDZWDOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F4N3O2/c1-20(2)31(40)38-29-18-26(27(35)19-28(29)36)21-12-16-39(17-13-21)15-3-14-37-32(41)30(22-4-8-24(33)9-5-22)23-6-10-25(34)11-7-23/h4-11,18-21,30H,3,12-17H2,1-2H3,(H,37,41)(H,38,40).
What are the key properties of N-[5-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-2,4-difluorophenyl]-2-methylpropanamide?
N-[5-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-2,4-difluorophenyl]-2-methylpropanamide has a molecular weight of 569.64 g/mol, XLogP of 6.36, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[3-[[2,2-bis(4-fluorophenyl)acetyl]amino]propyl]piperidin-4-yl]-2,4-difluorophenyl]-2-methylpropanamide is sourced from PubChem (CID 10437982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).