4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2,4-difluorophenyl)benzamide

C21H21F2N3O2 — CID 110426763

IUPAC4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2,4-difluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C21H21F2N3O2/c22-16-5-8-19(18(23)13-16)24-20(27)14-3-6-17(7-4-14)25-9-11-26(12-10-25)21(28)15-1-2-15/h3-8,13,15H,1-2,9-12H2,(H,24,27)
InChIKeyAFZLVHKWUPONEY-UHFFFAOYSA-N
MW385.41 g/mol
LogP3.28
Rot. Bonds4

About 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2,4-difluorophenyl)benzamide

4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2,4-difluorophenyl)benzamide (PubChem CID 110426763) has the molecular formula C21H21F2N3O2 and a molecular weight of 385.41 g/mol. Its IUPAC name is 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2,4-difluorophenyl)benzamide.

Molecular Properties

Compound Name4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2,4-difluorophenyl)benzamide
PubChem CID110426763
Molecular FormulaC21H21F2N3O2
Molecular Weight385.41 g/mol
Exact Mass385.16
IUPAC Name4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2,4-difluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C21H21F2N3O2/c22-16-5-8-19(18(23)13-16)24-20(27)14-3-6-17(7-4-14)25-9-11-26(12-10-25)21(28)15-1-2-15/h3-8,13,15H,1-2,9-12H2,(H,24,27)
InChIKeyAFZLVHKWUPONEY-UHFFFAOYSA-N
XLogP3.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)benzamide
CID 110420258
N-(2,4-difluorophenyl)-4-morpholin-4-ylbenzamide
CID 53282259
N-(2,4-difluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732675
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
4-(azepane-1-carbonyl)-N-(2,4-difluorophenyl)benzamide
CID 109049185
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)benzamide
CID 110418111
N-(2,4-difluorophenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147669
4-(4-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113112680
N'-(2,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987612
2-[(4-fluorobenzoyl)amino]-5-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid
CID 50782097
N-(2-amino-5-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 167931145
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-(4-fluorophenyl)acetamide
CID 112502808

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2,4-difluorophenyl)benzamide?
The IUPAC name of 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2,4-difluorophenyl)benzamide (CID 110426763) is 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2,4-difluorophenyl)benzamide.
What is the SMILES notation for 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2,4-difluorophenyl)benzamide?
The canonical SMILES for 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2,4-difluorophenyl)benzamide is O=C(Nc1ccc(F)cc1F)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1.
What is the InChIKey of 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2,4-difluorophenyl)benzamide?
The InChIKey is AFZLVHKWUPONEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O2/c22-16-5-8-19(18(23)13-16)24-20(27)14-3-6-17(7-4-14)25-9-11-26(12-10-25)21(28)15-1-2-15/h3-8,13,15H,1-2,9-12H2,(H,24,27).
What are the key properties of 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2,4-difluorophenyl)benzamide?
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2,4-difluorophenyl)benzamide has a molecular weight of 385.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2,4-difluorophenyl)benzamide is sourced from PubChem (CID 110426763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).