(2S)-2-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide

C19H21ClFN3O — CID 97261025

IUPAC(2S)-2-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
SMILESNC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H21ClFN3O/c20-16-5-3-15(4-6-16)18(19(22)25)24-11-9-23(10-12-24)13-14-1-7-17(21)8-2-14/h1-8,18H,9-13H2,(H2,22,25)/t18-/m0/s1
InChIKeyNWZJXPPZABVNOI-SFHVURJKSA-N
MW361.85 g/mol
LogP2.82
Rot. Bonds5

About (2S)-2-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide

(2S)-2-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 97261025) has the molecular formula C19H21ClFN3O and a molecular weight of 361.85 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
PubChem CID97261025
Molecular FormulaC19H21ClFN3O
Molecular Weight361.85 g/mol
Exact Mass361.14
IUPAC Name(2S)-2-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
SMILESNC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H21ClFN3O/c20-16-5-3-15(4-6-16)18(19(22)25)24-11-9-23(10-12-24)13-14-1-7-17(21)8-2-14/h1-8,18H,9-13H2,(H2,22,25)/t18-/m0/s1
InChIKeyNWZJXPPZABVNOI-SFHVURJKSA-N
XLogP2.82
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
CID 43062013
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CID 134152435
2-(4-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 86789406
ethyl (2S)-2-(4-chlorophenyl)-2-[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]acetate
CID 32520506
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
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2-(4-benzylpiperazin-1-yl)-N-cyclopropyl-2-(4-fluorophenyl)acetamide
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2-(4-fluorophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 43041193
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
(2S)-2-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)acetic acid
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide (CID 97261025) is (2S)-2-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide is NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is NWZJXPPZABVNOI-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21ClFN3O/c20-16-5-3-15(4-6-16)18(19(22)25)24-11-9-23(10-12-24)13-14-1-7-17(21)8-2-14/h1-8,18H,9-13H2,(H2,22,25)/t18-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide?
(2S)-2-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 361.85 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 97261025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).