N-(3-chloro-4-cyanophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide

C19H20ClN4O+ — CID 2685105

IUPACN-(3-chloro-4-cyanophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
SMILESN#Cc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C19H19ClN4O/c20-18-12-16(7-6-15(18)13-21)22-19(25)14-23-8-10-24(11-9-23)17-4-2-1-3-5-17/h1-7,12H,8-11,14H2,(H,22,25)/p+1
InChIKeyUYTGQTMJYIDZED-UHFFFAOYSA-O
MW355.85 g/mol
LogP1.56
Rot. Bonds4

About N-(3-chloro-4-cyanophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide

N-(3-chloro-4-cyanophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide (PubChem CID 2685105) has the molecular formula C19H20ClN4O+ and a molecular weight of 355.85 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
PubChem CID2685105
Molecular FormulaC19H20ClN4O+
Molecular Weight355.85 g/mol
Exact Mass355.13
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
SMILESN#Cc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C19H19ClN4O/c20-18-12-16(7-6-15(18)13-21)22-19(25)14-23-8-10-24(11-9-23)17-4-2-1-3-5-17/h1-7,12H,8-11,14H2,(H,22,25)/p+1
InChIKeyUYTGQTMJYIDZED-UHFFFAOYSA-O
XLogP1.56
TPSA60.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 2086316
N-(3-cyanophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 8688681
N-(3-chloro-4-cyanophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 2655081
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 6958469
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-cyanophenyl)acetamide
CID 8528279
2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 6958022
N-(5-chloro-2-nitrophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 7925966
N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 6974857
2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-phenylacetamide
CID 8590885
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide
CID 6930719
N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide
CID 6958467
N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 3703732

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide (CID 2685105) is N-(3-chloro-4-cyanophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide is N#Cc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide?
The InChIKey is UYTGQTMJYIDZED-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H19ClN4O/c20-18-12-16(7-6-15(18)13-21)22-19(25)14-23-8-10-24(11-9-23)17-4-2-1-3-5-17/h1-7,12H,8-11,14H2,(H,22,25)/p+1.
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide?
N-(3-chloro-4-cyanophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide has a molecular weight of 355.85 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide is sourced from PubChem (CID 2685105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).