2-(4-chlorophenyl)-N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]acetamide

C20H22ClN3O2 — CID 113000176

IUPAC2-(4-chlorophenyl)-N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCC(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H22ClN3O2/c21-16-5-3-15(4-6-16)13-19(25)22-14-20(26)23-17-7-9-18(10-8-17)24-11-1-2-12-24/h3-10H,1-2,11-14H2,(H,22,25)(H,23,26)
InChIKeyCQSRREXRXQWJLS-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.24
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]acetamide

2-(4-chlorophenyl)-N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]acetamide (PubChem CID 113000176) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]acetamide
PubChem CID113000176
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name2-(4-chlorophenyl)-N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCC(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H22ClN3O2/c21-16-5-3-15(4-6-16)13-19(25)22-14-20(26)23-17-7-9-18(10-8-17)24-11-1-2-12-24/h3-10H,1-2,11-14H2,(H,22,25)(H,23,26)
InChIKeyCQSRREXRXQWJLS-UHFFFAOYSA-N
XLogP3.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.24
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

2-(4-ethoxyphenyl)-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]acetamide
CID 110601075
N-[2-(4-chloroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112997921
N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 112999737
2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 16890076
2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 2228389
N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 112985752
2-(4-chlorophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide
CID 112996792
N-[(4-chlorophenyl)methyl]-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108507754
N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]butanamide
CID 113000164
4-chloro-N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]benzamide
CID 110601103
2-(4-chlorophenyl)-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]acetamide
CID 17118263
N-[2-(4-chlorophenyl)ethyl]-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108985822

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]acetamide (CID 113000176) is 2-(4-chlorophenyl)-N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]acetamide is O=C(Cc1ccc(Cl)cc1)NCC(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]acetamide?
The InChIKey is CQSRREXRXQWJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c21-16-5-3-15(4-6-16)13-19(25)22-14-20(26)23-17-7-9-18(10-8-17)24-11-1-2-12-24/h3-10H,1-2,11-14H2,(H,22,25)(H,23,26).
What are the key properties of 2-(4-chlorophenyl)-N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]acetamide?
2-(4-chlorophenyl)-N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]acetamide has a molecular weight of 371.87 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]acetamide is sourced from PubChem (CID 113000176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).