N-(2-amino-5-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide

C12H14ClN3O2 — CID 16794654

IUPACN-(2-amino-5-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESNc1ccc(Cl)cc1NC(=O)CN1CCCC1=O
InChIInChI=1S/C12H14ClN3O2/c13-8-3-4-9(14)10(6-8)15-11(17)7-16-5-1-2-12(16)18/h3-4,6H,1-2,5,7,14H2,(H,15,17)
InChIKeyVJTOGVBMYRHUTG-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.48
Rot. Bonds3

About N-(2-amino-5-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide

N-(2-amino-5-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 16794654) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID16794654
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC NameN-(2-amino-5-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESNc1ccc(Cl)cc1NC(=O)CN1CCCC1=O
InChIInChI=1S/C12H14ClN3O2/c13-8-3-4-9(14)10(6-8)15-11(17)7-16-5-1-2-12(16)18/h3-4,6H,1-2,5,7,14H2,(H,15,17)
InChIKeyVJTOGVBMYRHUTG-UHFFFAOYSA-N
XLogP1.48
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-chlorophenyl)-3-(2-oxopiperidin-1-yl)propanamide
CID 28823865
N-(2-amino-5-chlorophenyl)-2-pyrrolidin-1-ylacetamide
CID 16778999
N-(2-amino-5-chlorophenyl)-2-piperidin-1-ylacetamide
CID 16793337
N-(4-chloro-2-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 86930614
N-(2-benzoyl-4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 100774842
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110689931
N-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 43584981
N-(3,5-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 110689887
N-(2-amino-5-chlorophenyl)-2-(1,4-oxazepan-4-yl)acetamide
CID 62987910
N-(2-amino-5-chlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 62206390
N-(4-amino-2,6-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 29294980
N-(4-amino-2-bromophenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 43376282

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide (CID 16794654) is N-(2-amino-5-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide is Nc1ccc(Cl)cc1NC(=O)CN1CCCC1=O.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is VJTOGVBMYRHUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c13-8-3-4-9(14)10(6-8)15-11(17)7-16-5-1-2-12(16)18/h3-4,6H,1-2,5,7,14H2,(H,15,17).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
N-(2-amino-5-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 267.72 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 16794654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).