N-(2,4-dichlorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide

C20H23Cl2N3O — CID 109010555

IUPACN-(2,4-dichlorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
SMILESCC1CCN(c2ccc(NCC(=O)Nc3ccc(Cl)cc3Cl)cc2)CC1
InChIInChI=1S/C20H23Cl2N3O/c1-14-8-10-25(11-9-14)17-5-3-16(4-6-17)23-13-20(26)24-19-7-2-15(21)12-18(19)22/h2-7,12,14,23H,8-11,13H2,1H3,(H,24,26)
InChIKeyWUUWJDJGXKMQPN-UHFFFAOYSA-N
MW392.33 g/mol
LogP5.28
Rot. Bonds5

About N-(2,4-dichlorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide

N-(2,4-dichlorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide (PubChem CID 109010555) has the molecular formula C20H23Cl2N3O and a molecular weight of 392.33 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
PubChem CID109010555
Molecular FormulaC20H23Cl2N3O
Molecular Weight392.33 g/mol
Exact Mass391.12
IUPAC NameN-(2,4-dichlorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
SMILESCC1CCN(c2ccc(NCC(=O)Nc3ccc(Cl)cc3Cl)cc2)CC1
InChIInChI=1S/C20H23Cl2N3O/c1-14-8-10-25(11-9-14)17-5-3-16(4-6-17)23-13-20(26)24-19-7-2-15(21)12-18(19)22/h2-7,12,14,23H,8-11,13H2,1H3,(H,24,26)
InChIKeyWUUWJDJGXKMQPN-UHFFFAOYSA-N
XLogP5.28
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.33
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
CID 109007147
2-(4-acetylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 109009876
2-[4-(4-methylpiperidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109009809
N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 109035126
2-(2,4-dichloroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 54811499
ethyl 4-[[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]amino]benzoate
CID 109010573
2-(2,4-dichlorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide
CID 56559143
2-(3-chloro-4-fluoroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 26437681
N-(5-chloro-2-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109008899
N-(2,4-dichlorophenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108959269
2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide
CID 16586459
1-(3-chloro-4-fluorophenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108991879

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide (CID 109010555) is N-(2,4-dichlorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide is CC1CCN(c2ccc(NCC(=O)Nc3ccc(Cl)cc3Cl)cc2)CC1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide?
The InChIKey is WUUWJDJGXKMQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O/c1-14-8-10-25(11-9-14)17-5-3-16(4-6-17)23-13-20(26)24-19-7-2-15(21)12-18(19)22/h2-7,12,14,23H,8-11,13H2,1H3,(H,24,26).
What are the key properties of N-(2,4-dichlorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide?
N-(2,4-dichlorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide has a molecular weight of 392.33 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide is sourced from PubChem (CID 109010555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).