2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide

C20H20ClF2N3O2 — CID 55544240

IUPAC2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1F)N1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H20ClF2N3O2/c1-13(19(27)24-18-6-5-16(22)12-17(18)23)25-7-9-26(10-8-25)20(28)14-3-2-4-15(21)11-14/h2-6,11-13H,7-10H2,1H3,(H,24,27)
InChIKeyMJUXPSOZVXLFAO-UHFFFAOYSA-N
MW407.85 g/mol
LogP3.40
Rot. Bonds4

About 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide

2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide (PubChem CID 55544240) has the molecular formula C20H20ClF2N3O2 and a molecular weight of 407.85 g/mol. Its IUPAC name is 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide
PubChem CID55544240
Molecular FormulaC20H20ClF2N3O2
Molecular Weight407.85 g/mol
Exact Mass407.12
IUPAC Name2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1F)N1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H20ClF2N3O2/c1-13(19(27)24-18-6-5-16(22)12-17(18)23)25-7-9-26(10-8-25)20(28)14-3-2-4-15(21)11-14/h2-6,11-13H,7-10H2,1H3,(H,24,27)
InChIKeyMJUXPSOZVXLFAO-UHFFFAOYSA-N
XLogP3.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.85
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide
CID 9444961
2-[4-(3-chlorobenzoyl)piperazin-1-yl]propanoic acid
CID 62317082
(2S)-2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)propanamide
CID 9249888
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)propanamide
CID 46630871
(2S)-N-(2,4-difluorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 9460044
(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,4-dichlorophenyl)propanamide
CID 2690225
(2S)-N-(2-chloro-4-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 27154894
(2R)-N-(2-chloro-4-fluorophenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propanamide
CID 9258269
2-(4-benzoylpiperazin-1-yl)-N-(4-chlorophenyl)propanamide
CID 18082984
2-(4-benzoylpiperazin-1-yl)-N-(4-fluorophenyl)propanamide
CID 18082983
2-(4-benzoylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 18094231
2-(4-benzoylpiperazin-1-yl)-N-(3-chloro-2-methylphenyl)propanamide
CID 18094234

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide?
The IUPAC name of 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide (CID 55544240) is 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide?
The canonical SMILES for 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide is CC(C(=O)Nc1ccc(F)cc1F)N1CCN(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide?
The InChIKey is MJUXPSOZVXLFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF2N3O2/c1-13(19(27)24-18-6-5-16(22)12-17(18)23)25-7-9-26(10-8-25)20(28)14-3-2-4-15(21)11-14/h2-6,11-13H,7-10H2,1H3,(H,24,27).
What are the key properties of 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide?
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide has a molecular weight of 407.85 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 55544240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).