N-butyl-2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide

C16H21ClFN3O2 — CID 20851450

IUPACN-butyl-2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(Cc2ccc(F)cc2Cl)C1=O
InChIInChI=1S/C16H21ClFN3O2/c1-2-3-6-19-15(22)11-21-8-7-20(16(21)23)10-12-4-5-13(18)9-14(12)17/h4-5,9H,2-3,6-8,10-11H2,1H3,(H,19,22)
InChIKeyFVTOODNYWKTJCM-UHFFFAOYSA-N
MW341.81 g/mol
LogP2.63
Rot. Bonds7

About N-butyl-2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide

N-butyl-2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide (PubChem CID 20851450) has the molecular formula C16H21ClFN3O2 and a molecular weight of 341.81 g/mol. Its IUPAC name is N-butyl-2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
PubChem CID20851450
Molecular FormulaC16H21ClFN3O2
Molecular Weight341.81 g/mol
Exact Mass341.13
IUPAC NameN-butyl-2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(Cc2ccc(F)cc2Cl)C1=O
InChIInChI=1S/C16H21ClFN3O2/c1-2-3-6-19-15(22)11-21-8-7-20(16(21)23)10-12-4-5-13(18)9-14(12)17/h4-5,9H,2-3,6-8,10-11H2,1H3,(H,19,22)
InChIKeyFVTOODNYWKTJCM-UHFFFAOYSA-N
XLogP2.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.81
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide (CID 20851450) is N-butyl-2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide is CCCCNC(=O)CN1CCN(Cc2ccc(F)cc2Cl)C1=O.
What is the InChIKey of N-butyl-2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
The InChIKey is FVTOODNYWKTJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFN3O2/c1-2-3-6-19-15(22)11-21-8-7-20(16(21)23)10-12-4-5-13(18)9-14(12)17/h4-5,9H,2-3,6-8,10-11H2,1H3,(H,19,22).
What are the key properties of N-butyl-2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
N-butyl-2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide has a molecular weight of 341.81 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 20851450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).