N-(4-fluorophenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]acetamide

C14H18FN3O2 — CID 2553582

IUPACN-(4-fluorophenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]acetamide
SMILESO=C(CN1CCCC1)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H18FN3O2/c15-11-3-5-12(6-4-11)17-13(19)9-16-14(20)10-18-7-1-2-8-18/h3-6H,1-2,7-10H2,(H,16,20)(H,17,19)
InChIKeyBLLVIUMIHOVEIQ-UHFFFAOYSA-N
MW279.31 g/mol
LogP0.98
Rot. Bonds5

About N-(4-fluorophenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]acetamide

N-(4-fluorophenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]acetamide (PubChem CID 2553582) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]acetamide
PubChem CID2553582
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC NameN-(4-fluorophenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]acetamide
SMILESO=C(CN1CCCC1)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H18FN3O2/c15-11-3-5-12(6-4-11)17-13(19)9-16-14(20)10-18-7-1-2-8-18/h3-6H,1-2,7-10H2,(H,16,20)(H,17,19)
InChIKeyBLLVIUMIHOVEIQ-UHFFFAOYSA-N
XLogP0.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]acetamide (CID 2553582) is N-(4-fluorophenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]acetamide is O=C(CN1CCCC1)NCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]acetamide?
The InChIKey is BLLVIUMIHOVEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c15-11-3-5-12(6-4-11)17-13(19)9-16-14(20)10-18-7-1-2-8-18/h3-6H,1-2,7-10H2,(H,16,20)(H,17,19).
What are the key properties of N-(4-fluorophenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]acetamide?
N-(4-fluorophenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]acetamide has a molecular weight of 279.31 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]acetamide is sourced from PubChem (CID 2553582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).