N-(2,4-difluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide

C20H23F2N3O — CID 48732675

IUPACN-(2,4-difluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
SMILESCC(C)N1CCN(c2ccc(C(=O)Nc3ccc(F)cc3F)cc2)CC1
InChIInChI=1S/C20H23F2N3O/c1-14(2)24-9-11-25(12-10-24)17-6-3-15(4-7-17)20(26)23-19-8-5-16(21)13-18(19)22/h3-8,13-14H,9-12H2,1-2H3,(H,23,26)
InChIKeyQBPXKDGBIOGQNV-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.75
Rot. Bonds4

About N-(2,4-difluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide

N-(2,4-difluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide (PubChem CID 48732675) has the molecular formula C20H23F2N3O and a molecular weight of 359.42 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
PubChem CID48732675
Molecular FormulaC20H23F2N3O
Molecular Weight359.42 g/mol
Exact Mass359.18
IUPAC NameN-(2,4-difluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
SMILESCC(C)N1CCN(c2ccc(C(=O)Nc3ccc(F)cc3F)cc2)CC1
InChIInChI=1S/C20H23F2N3O/c1-14(2)24-9-11-25(12-10-24)17-6-3-15(4-7-17)20(26)23-19-8-5-16(21)13-18(19)22/h3-8,13-14H,9-12H2,1-2H3,(H,23,26)
InChIKeyQBPXKDGBIOGQNV-UHFFFAOYSA-N
XLogP3.75
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-4-morpholin-4-ylbenzamide
CID 53282259
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2,4-difluorophenyl)benzamide
CID 110426763
N-(3-acetamido-4-fluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732998
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
N-(2-bromophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732588
2-[(4-fluorobenzoyl)amino]-5-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid
CID 50782097
4-N-butan-2-yl-1-N-(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 109044182
4-(4-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113112680
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
N-(2,4-difluorophenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148674
4-(azepane-1-carbonyl)-N-(2,4-difluorophenyl)benzamide
CID 109049185
N-(2,4-difluorophenyl)-4-ethylbenzamide
CID 2478391

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide (CID 48732675) is N-(2,4-difluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide is CC(C)N1CCN(c2ccc(C(=O)Nc3ccc(F)cc3F)cc2)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide?
The InChIKey is QBPXKDGBIOGQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O/c1-14(2)24-9-11-25(12-10-24)17-6-3-15(4-7-17)20(26)23-19-8-5-16(21)13-18(19)22/h3-8,13-14H,9-12H2,1-2H3,(H,23,26).
What are the key properties of N-(2,4-difluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide?
N-(2,4-difluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide has a molecular weight of 359.42 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide is sourced from PubChem (CID 48732675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).