N-(4-chloro-2-methylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide

C19H22ClN3O2 — CID 8005862

IUPACN-(4-chloro-2-methylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN1CCN(c2ccccc2O)CC1
InChIInChI=1S/C19H22ClN3O2/c1-14-12-15(20)6-7-16(14)21-19(25)13-22-8-10-23(11-9-22)17-4-2-3-5-18(17)24/h2-7,12,24H,8-11,13H2,1H3,(H,21,25)
InChIKeyDTGNXKRAJGWHKT-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.11
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide

N-(4-chloro-2-methylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide (PubChem CID 8005862) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
PubChem CID8005862
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-(4-chloro-2-methylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN1CCN(c2ccccc2O)CC1
InChIInChI=1S/C19H22ClN3O2/c1-14-12-15(20)6-7-16(14)21-19(25)13-22-8-10-23(11-9-22)17-4-2-3-5-18(17)24/h2-7,12,24H,8-11,13H2,1H3,(H,21,25)
InChIKeyDTGNXKRAJGWHKT-UHFFFAOYSA-N
XLogP3.11
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 8591260
N-(4-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8704214
N-(2,3-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 2654826
N-(4-chloro-2-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
CID 78897256
N-(2-bromophenyl)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetamide
CID 1091721
2-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 22199290
N-(2,4-dichlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653668
1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119908238
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 22198476
N-(4-chloro-2-methylphenyl)-2-(2,3-dihydroindol-1-yl)acetamide
CID 109007270
N-(2,5-dichlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 2120382
2-[[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 17390408

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide (CID 8005862) is N-(4-chloro-2-methylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide is Cc1cc(Cl)ccc1NC(=O)CN1CCN(c2ccccc2O)CC1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is DTGNXKRAJGWHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-14-12-15(20)6-7-16(14)21-19(25)13-22-8-10-23(11-9-22)17-4-2-3-5-18(17)24/h2-7,12,24H,8-11,13H2,1H3,(H,21,25).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide?
N-(4-chloro-2-methylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 359.86 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 8005862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).