(2R)-2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide

C15H19ClFN3O2 — CID 9276423

IUPAC(2R)-2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide
SMILESCC(=O)N1CCN([C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C15H19ClFN3O2/c1-10(19-5-7-20(8-6-19)11(2)21)15(22)18-12-3-4-14(17)13(16)9-12/h3-4,9-10H,5-8H2,1-2H3,(H,18,22)/t10-/m1/s1
InChIKeyJNZCDXCBHWUJRT-SNVBAGLBSA-N
MW327.79 g/mol
LogP1.97
Rot. Bonds3

About (2R)-2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide

(2R)-2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide (PubChem CID 9276423) has the molecular formula C15H19ClFN3O2 and a molecular weight of 327.79 g/mol. Its IUPAC name is (2R)-2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide
PubChem CID9276423
Molecular FormulaC15H19ClFN3O2
Molecular Weight327.79 g/mol
Exact Mass327.11
IUPAC Name(2R)-2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide
SMILESCC(=O)N1CCN([C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C15H19ClFN3O2/c1-10(19-5-7-20(8-6-19)11(2)21)15(22)18-12-3-4-14(17)13(16)9-12/h3-4,9-10H,5-8H2,1-2H3,(H,18,22)/t10-/m1/s1
InChIKeyJNZCDXCBHWUJRT-SNVBAGLBSA-N
XLogP1.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide
CID 46630970
N-(3-chloro-4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18093944
(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,4-dichlorophenyl)propanamide
CID 2690225
(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide
CID 2690255
3-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)-3-oxopropanamide
CID 108944949
(2R)-2-acetamido-N-(3-chloro-4-fluorophenyl)propanamide
CID 51648206
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 8904218
1-(4-acetylpiperazine-1-carbonyl)-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
CID 108974500
N-(3,4-difluorophenyl)-2-morpholin-4-ylpropanamide
CID 46630811
2-(4-benzoylpiperazin-1-yl)-N-(4-chlorophenyl)propanamide
CID 18082984
4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 25478294
(2R)-2-(4-butanoyl-1,4-diazepan-1-yl)-N-(3,4-difluorophenyl)propanamide
CID 52503097

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide?
The IUPAC name of (2R)-2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide (CID 9276423) is (2R)-2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide?
The canonical SMILES for (2R)-2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide is CC(=O)N1CCN([C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of (2R)-2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide?
The InChIKey is JNZCDXCBHWUJRT-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19ClFN3O2/c1-10(19-5-7-20(8-6-19)11(2)21)15(22)18-12-3-4-14(17)13(16)9-12/h3-4,9-10H,5-8H2,1-2H3,(H,18,22)/t10-/m1/s1.
What are the key properties of (2R)-2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide?
(2R)-2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide has a molecular weight of 327.79 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide is sourced from PubChem (CID 9276423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).