N-(4-pyrrolidin-1-ylphenyl)acetamide

C12H16N2O — CID 1480263

IUPACN-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCC(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C12H16N2O/c1-10(15)13-11-4-6-12(7-5-11)14-8-2-3-9-14/h4-7H,2-3,8-9H2,1H3,(H,13,15)
InChIKeyATKVNSUOTPRKKI-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.25
Rot. Bonds2

About N-(4-pyrrolidin-1-ylphenyl)acetamide

N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 1480263) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID1480263
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCC(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C12H16N2O/c1-10(15)13-11-4-6-12(7-5-11)14-8-2-3-9-14/h4-7H,2-3,8-9H2,1H3,(H,13,15)
InChIKeyATKVNSUOTPRKKI-UHFFFAOYSA-N
XLogP2.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 1480263) is N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for N-(4-pyrrolidin-1-ylphenyl)acetamide is CC(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is ATKVNSUOTPRKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-10(15)13-11-4-6-12(7-5-11)14-8-2-3-9-14/h4-7H,2-3,8-9H2,1H3,(H,13,15).
What are the key properties of N-(4-pyrrolidin-1-ylphenyl)acetamide?
N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 204.27 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 1480263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).