2-(3-chloroanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

C14H18ClN3O2 — CID 47145291

IUPAC2-(3-chloroanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(CNc1cccc(Cl)c1)NCC(=O)N1CCCC1
InChIInChI=1S/C14H18ClN3O2/c15-11-4-3-5-12(8-11)16-9-13(19)17-10-14(20)18-6-1-2-7-18/h3-5,8,16H,1-2,6-7,9-10H2,(H,17,19)
InChIKeyAFNSJSQFHWYBIH-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.49
Rot. Bonds5

About 2-(3-chloroanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

2-(3-chloroanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 47145291) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-(3-chloroanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
PubChem CID47145291
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name2-(3-chloroanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(CNc1cccc(Cl)c1)NCC(=O)N1CCCC1
InChIInChI=1S/C14H18ClN3O2/c15-11-4-3-5-12(8-11)16-9-13(19)17-10-14(20)18-6-1-2-7-18/h3-5,8,16H,1-2,6-7,9-10H2,(H,17,19)
InChIKeyAFNSJSQFHWYBIH-UHFFFAOYSA-N
XLogP1.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aziridin-1-yl)-2-(3-chloroanilino)ethanone
CID 131042783
N-(3-chlorophenyl)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 115745385
1-(4-acetylpiperazin-1-yl)-2-(3-chloroanilino)ethanone
CID 108996168
2-(3-chloroanilino)-1-(1,4-diazepan-1-yl)ethanone
CID 142710170
2-(3-chloroanilino)-1-morpholin-4-ylethanone
CID 28580621
2-(3-chloroanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28580633
3-(azepan-1-yl)-N-(3-chlorophenyl)-3-oxopropanamide
CID 108952689
1-(4-benzylpiperazin-1-yl)-2-(3-chloroanilino)ethanone
CID 109002032
2-[3-(5-methyltetrazol-1-yl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 60562188
1-(azepan-1-yl)-2-(3-iodoanilino)ethanone
CID 28836114
1-[4-(1H-benzimidazol-2-ylmethyl)-1,4-diazepan-1-yl]-2-(3-chloroanilino)ethanone
CID 46887748
N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008455

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-(3-chloroanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (CID 47145291) is 2-(3-chloroanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(3-chloroanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-(3-chloroanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is O=C(CNc1cccc(Cl)c1)NCC(=O)N1CCCC1.
What is the InChIKey of 2-(3-chloroanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is AFNSJSQFHWYBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c15-11-4-3-5-12(8-11)16-9-13(19)17-10-14(20)18-6-1-2-7-18/h3-5,8,16H,1-2,6-7,9-10H2,(H,17,19).
What are the key properties of 2-(3-chloroanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
2-(3-chloroanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 295.77 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 47145291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).