N-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]acetamide

C15H24ClN3O2+2 — CID 7165141

IUPACN-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)C[NH+]1CC[NH+](CCO)CC1
InChIInChI=1S/C15H22ClN3O2/c1-12-13(16)3-2-4-14(12)17-15(21)11-19-7-5-18(6-8-19)9-10-20/h2-4,20H,5-11H2,1H3,(H,17,21)/p+2
InChIKeyNQIAXFVKNBTLPE-UHFFFAOYSA-P
MW313.83 g/mol
LogP-1.64
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]acetamide

N-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]acetamide (PubChem CID 7165141) has the molecular formula C15H24ClN3O2+2 and a molecular weight of 313.83 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]acetamide
PubChem CID7165141
Molecular FormulaC15H24ClN3O2+2
Molecular Weight313.83 g/mol
Exact Mass313.15
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)C[NH+]1CC[NH+](CCO)CC1
InChIInChI=1S/C15H22ClN3O2/c1-12-13(16)3-2-4-14(12)17-15(21)11-19-7-5-18(6-8-19)9-10-20/h2-4,20H,5-11H2,1H3,(H,17,21)/p+2
InChIKeyNQIAXFVKNBTLPE-UHFFFAOYSA-P
XLogP-1.64
TPSA58.21 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 9435108
N-(3-chloro-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide
CID 6993865
2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 9033863
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-methylphenyl)acetamide
CID 9435104
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-methylphenyl)acetamide
CID 9434244
N-(3-chloro-2-methylphenyl)-2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]acetamide
CID 9028740
N-(3-chloro-2-methylphenyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]acetamide
CID 9035450
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
(2S)-4-(3-chloro-2-methylanilino)-4-oxo-2-piperidin-1-ium-1-ylbutanoate
CID 7591694
N-(2-chlorophenyl)-2-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 9434312

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]acetamide (CID 7165141) is N-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]acetamide is Cc1c(Cl)cccc1NC(=O)C[NH+]1CC[NH+](CCO)CC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]acetamide?
The InChIKey is NQIAXFVKNBTLPE-UHFFFAOYSA-P. The full InChI is InChI=1S/C15H22ClN3O2/c1-12-13(16)3-2-4-14(12)17-15(21)11-19-7-5-18(6-8-19)9-10-20/h2-4,20H,5-11H2,1H3,(H,17,21)/p+2.
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]acetamide?
N-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]acetamide has a molecular weight of 313.83 g/mol, XLogP of -1.64, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]acetamide is sourced from PubChem (CID 7165141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).