N-[2-(3-chlorophenyl)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide

C21H27ClN4O — CID 109006861

IUPACN-[2-(3-chlorophenyl)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
SMILESCN1CCN(c2ccc(NCC(=O)NCCc3cccc(Cl)c3)cc2)CC1
InChIInChI=1S/C21H27ClN4O/c1-25-11-13-26(14-12-25)20-7-5-19(6-8-20)24-16-21(27)23-10-9-17-3-2-4-18(22)15-17/h2-8,15,24H,9-14,16H2,1H3,(H,23,27)
InChIKeyWRFUMVLCWKLADI-UHFFFAOYSA-N
MW386.93 g/mol
LogP2.86
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide

N-[2-(3-chlorophenyl)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide (PubChem CID 109006861) has the molecular formula C21H27ClN4O and a molecular weight of 386.93 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
PubChem CID109006861
Molecular FormulaC21H27ClN4O
Molecular Weight386.93 g/mol
Exact Mass386.19
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
SMILESCN1CCN(c2ccc(NCC(=O)NCCc3cccc(Cl)c3)cc2)CC1
InChIInChI=1S/C21H27ClN4O/c1-25-11-13-26(14-12-25)20-7-5-19(6-8-20)24-16-21(27)23-10-9-17-3-2-4-18(22)15-17/h2-8,15,24H,9-14,16H2,1H3,(H,23,27)
InChIKeyWRFUMVLCWKLADI-UHFFFAOYSA-N
XLogP2.86
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dichloroanilino)acetamide
CID 109006882
N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dimethylanilino)acetamide
CID 109006812
N-[2-(3-chlorophenyl)ethyl]-2-(2,6-dimethylanilino)acetamide
CID 32908644
2-(3-acetamidoanilino)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 109006850
N-(3-chloro-4-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109008673
N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008455
1-[2-(3-chlorophenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108991011
N-(5-chloro-2-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109008899
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-phenylethyl)urea
CID 108888081
N-(3-phenylpropyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109005175
2-(benzylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 108996409
N-[2-(3-chlorophenyl)ethyl]-2-[2-(4-chlorophenyl)ethylamino]acetamide
CID 109002830

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide (CID 109006861) is N-[2-(3-chlorophenyl)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide is CN1CCN(c2ccc(NCC(=O)NCCc3cccc(Cl)c3)cc2)CC1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide?
The InChIKey is WRFUMVLCWKLADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O/c1-25-11-13-26(14-12-25)20-7-5-19(6-8-20)24-16-21(27)23-10-9-17-3-2-4-18(22)15-17/h2-8,15,24H,9-14,16H2,1H3,(H,23,27).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide?
N-[2-(3-chlorophenyl)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide has a molecular weight of 386.93 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide is sourced from PubChem (CID 109006861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).