2-(difluoromethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide

C26H27F2N3O2 — CID 39172415

IUPAC2-(difluoromethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)c1ccccc1OC(F)F
InChIInChI=1S/C26H27F2N3O2/c27-26(28)33-24-13-7-6-12-23(24)25(32)29-18-20-8-4-5-9-21(20)19-30-14-16-31(17-15-30)22-10-2-1-3-11-22/h1-13,26H,14-19H2,(H,29,32)
InChIKeyISQPLUSTEXLUNI-UHFFFAOYSA-N
MW451.52 g/mol
LogP4.54
Rot. Bonds8

About 2-(difluoromethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide

2-(difluoromethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide (PubChem CID 39172415) has the molecular formula C26H27F2N3O2 and a molecular weight of 451.52 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
PubChem CID39172415
Molecular FormulaC26H27F2N3O2
Molecular Weight451.52 g/mol
Exact Mass451.21
IUPAC Name2-(difluoromethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)c1ccccc1OC(F)F
InChIInChI=1S/C26H27F2N3O2/c27-26(28)33-24-13-7-6-12-23(24)25(32)29-18-20-8-4-5-9-21(20)19-30-14-16-31(17-15-30)22-10-2-1-3-11-22/h1-13,26H,14-19H2,(H,29,32)
InChIKeyISQPLUSTEXLUNI-UHFFFAOYSA-N
XLogP4.54
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(difluoromethoxy)benzamide
CID 40548463
2-(difluoromethoxy)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 30955346
5-acetamido-2-fluoro-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
CID 60567676
N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]pyridine-2-carboxamide
CID 39173441
(2R)-2-amino-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]propanamide;trihydrochloride
CID 119902129
2-methylsulfanyl-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 55691045
2-methyl-5-methylsulfonyl-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
CID 36551850
N-[[2-(difluoromethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 86998055
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
2-(difluoromethoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 30857280
4-(4-fluorophenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
CID 36553152
2-[(4-fluorophenyl)methoxy]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17494490

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide (CID 39172415) is 2-(difluoromethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide is O=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide?
The InChIKey is ISQPLUSTEXLUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N3O2/c27-26(28)33-24-13-7-6-12-23(24)25(32)29-18-20-8-4-5-9-21(20)19-30-14-16-31(17-15-30)22-10-2-1-3-11-22/h1-13,26H,14-19H2,(H,29,32).
What are the key properties of 2-(difluoromethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide?
2-(difluoromethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide has a molecular weight of 451.52 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 39172415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).