N-(2-amino-5-chlorophenyl)-2-pyrrolidin-1-ylacetamide

C12H16ClN3O — CID 16778999

IUPACN-(2-amino-5-chlorophenyl)-2-pyrrolidin-1-ylacetamide
SMILESNc1ccc(Cl)cc1NC(=O)CN1CCCC1
InChIInChI=1S/C12H16ClN3O/c13-9-3-4-10(14)11(7-9)15-12(17)8-16-5-1-2-6-16/h3-4,7H,1-2,5-6,8,14H2,(H,15,17)
InChIKeyINEFMNDSUWIDQT-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.96
Rot. Bonds3

About N-(2-amino-5-chlorophenyl)-2-pyrrolidin-1-ylacetamide

N-(2-amino-5-chlorophenyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 16778999) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-pyrrolidin-1-ylacetamide
PubChem CID16778999
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC NameN-(2-amino-5-chlorophenyl)-2-pyrrolidin-1-ylacetamide
SMILESNc1ccc(Cl)cc1NC(=O)CN1CCCC1
InChIInChI=1S/C12H16ClN3O/c13-9-3-4-10(14)11(7-9)15-12(17)8-16-5-1-2-6-16/h3-4,7H,1-2,5-6,8,14H2,(H,15,17)
InChIKeyINEFMNDSUWIDQT-UHFFFAOYSA-N
XLogP1.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.96
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)-2-piperidin-1-ylacetamide
CID 16793337
N-(2-amino-5-chlorophenyl)-2-(1,4-oxazepan-4-yl)acetamide
CID 62987910
N-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 43584981
N-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103505319
N-(2-amino-5-chlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 62206390
N-(2-amino-5-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 16794654
N-(2-amino-5-chlorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]acetamide
CID 106586022
N-(2-amino-5-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 112624444
N-(2-amino-4-chlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 43581141
N-(2-amino-5-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide
CID 54882932
N-(2-amino-5-chlorophenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)acetamide
CID 63013345
N-(2-amino-5-chlorophenyl)-3-(2-oxopiperidin-1-yl)propanamide
CID 28823865

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-pyrrolidin-1-ylacetamide (CID 16778999) is N-(2-amino-5-chlorophenyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-pyrrolidin-1-ylacetamide is Nc1ccc(Cl)cc1NC(=O)CN1CCCC1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is INEFMNDSUWIDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-9-3-4-10(14)11(7-9)15-12(17)8-16-5-1-2-6-16/h3-4,7H,1-2,5-6,8,14H2,(H,15,17).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-pyrrolidin-1-ylacetamide?
N-(2-amino-5-chlorophenyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 253.73 g/mol, XLogP of 1.96, 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-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 16778999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).