2-(2-acetamido-5-chloroanilino)-N-(4-piperidin-1-ylphenyl)acetamide

C21H25ClN4O2 — CID 60603019

IUPAC2-(2-acetamido-5-chloroanilino)-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCC(=O)Nc1ccc(Cl)cc1NCC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H25ClN4O2/c1-15(27)24-19-10-5-16(22)13-20(19)23-14-21(28)25-17-6-8-18(9-7-17)26-11-3-2-4-12-26/h5-10,13,23H,2-4,11-12,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyASYXPWBETFACGL-UHFFFAOYSA-N
MW400.91 g/mol
LogP4.34
Rot. Bonds6

About 2-(2-acetamido-5-chloroanilino)-N-(4-piperidin-1-ylphenyl)acetamide

2-(2-acetamido-5-chloroanilino)-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 60603019) has the molecular formula C21H25ClN4O2 and a molecular weight of 400.91 g/mol. Its IUPAC name is 2-(2-acetamido-5-chloroanilino)-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-acetamido-5-chloroanilino)-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID60603019
Molecular FormulaC21H25ClN4O2
Molecular Weight400.91 g/mol
Exact Mass400.17
IUPAC Name2-(2-acetamido-5-chloroanilino)-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCC(=O)Nc1ccc(Cl)cc1NCC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H25ClN4O2/c1-15(27)24-19-10-5-16(22)13-20(19)23-14-21(28)25-17-6-8-18(9-7-17)26-11-3-2-4-12-26/h5-10,13,23H,2-4,11-12,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyASYXPWBETFACGL-UHFFFAOYSA-N
XLogP4.34
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 54.34
H-Bond Donors ≤ 53
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

2-(2,3-dichloroanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109010505
2-(3-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 109009928
2-(2-bromo-4-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 33163479
N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008455
2-(4-chloro-2-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100516600
2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 37480616
2-(2-acetamidoanilino)-N-(4-chlorophenyl)acetamide
CID 163304116
2-(4-chlorophenyl)-N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]acetamide
CID 113000176
N'-(2,5-dichlorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987617
2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide
CID 18275278
2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-(4-propan-2-ylphenyl)acetamide
CID 55898218
N-(4-piperidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78908637

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-5-chloroanilino)-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(2-acetamido-5-chloroanilino)-N-(4-piperidin-1-ylphenyl)acetamide (CID 60603019) is 2-(2-acetamido-5-chloroanilino)-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-acetamido-5-chloroanilino)-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(2-acetamido-5-chloroanilino)-N-(4-piperidin-1-ylphenyl)acetamide is CC(=O)Nc1ccc(Cl)cc1NCC(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-(2-acetamido-5-chloroanilino)-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is ASYXPWBETFACGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O2/c1-15(27)24-19-10-5-16(22)13-20(19)23-14-21(28)25-17-6-8-18(9-7-17)26-11-3-2-4-12-26/h5-10,13,23H,2-4,11-12,14H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 2-(2-acetamido-5-chloroanilino)-N-(4-piperidin-1-ylphenyl)acetamide?
2-(2-acetamido-5-chloroanilino)-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 400.91 g/mol, XLogP of 4.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-5-chloroanilino)-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 60603019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).