(2S)-N-(2-chloro-4-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide

C18H19ClFN3O3 — CID 27154894

IUPAC(2S)-N-(2-chloro-4-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H19ClFN3O3/c1-12(17(24)21-15-5-4-13(20)11-14(15)19)22-6-8-23(9-7-22)18(25)16-3-2-10-26-16/h2-5,10-12H,6-9H2,1H3,(H,21,24)/t12-/m0/s1
InChIKeyAFFCUDBXRJCSBF-LBPRGKRZSA-N
MW379.82 g/mol
LogP2.86
Rot. Bonds4

About (2S)-N-(2-chloro-4-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide

(2S)-N-(2-chloro-4-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide (PubChem CID 27154894) has the molecular formula C18H19ClFN3O3 and a molecular weight of 379.82 g/mol. Its IUPAC name is (2S)-N-(2-chloro-4-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-chloro-4-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
PubChem CID27154894
Molecular FormulaC18H19ClFN3O3
Molecular Weight379.82 g/mol
Exact Mass379.11
IUPAC Name(2S)-N-(2-chloro-4-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H19ClFN3O3/c1-12(17(24)21-15-5-4-13(20)11-14(15)19)22-6-8-23(9-7-22)18(25)16-3-2-10-26-16/h2-5,10-12H,6-9H2,1H3,(H,21,24)/t12-/m0/s1
InChIKeyAFFCUDBXRJCSBF-LBPRGKRZSA-N
XLogP2.86
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2,4-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 9431689
N-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 51167962
N-(2-chloro-4-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 8932693
(2R)-N-(2-chloro-4-fluorophenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propanamide
CID 9258269
(2S)-N-(2,6-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 9431836
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 4881494
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide
CID 55544240
(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-chloro-4-fluorophenyl)propanamide
CID 30723498
(2S)-N-[(2-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 37377039
(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,4-dichlorophenyl)propanamide
CID 2690225
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)propanamide
CID 46162177
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 46744287

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-chloro-4-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(2-chloro-4-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide (CID 27154894) is (2S)-N-(2-chloro-4-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(2-chloro-4-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(2-chloro-4-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide is C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of (2S)-N-(2-chloro-4-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The InChIKey is AFFCUDBXRJCSBF-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19ClFN3O3/c1-12(17(24)21-15-5-4-13(20)11-14(15)19)22-6-8-23(9-7-22)18(25)16-3-2-10-26-16/h2-5,10-12H,6-9H2,1H3,(H,21,24)/t12-/m0/s1.
What are the key properties of (2S)-N-(2-chloro-4-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
(2S)-N-(2-chloro-4-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide has a molecular weight of 379.82 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-chloro-4-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 27154894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).