N-[2-(butylamino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide

C14H19FN2O2 — CID 112990632

IUPACN-[2-(butylamino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
SMILESCCCCNC(=O)CNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H19FN2O2/c1-2-3-8-16-14(19)10-17-13(18)9-11-4-6-12(15)7-5-11/h4-7H,2-3,8-10H2,1H3,(H,16,19)(H,17,18)
InChIKeyDYUCTTJCDGWMCT-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.40
Rot. Bonds7

About N-[2-(butylamino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide

N-[2-(butylamino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 112990632) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-[2-(butylamino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(butylamino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
PubChem CID112990632
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-[2-(butylamino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
SMILESCCCCNC(=O)CNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H19FN2O2/c1-2-3-8-16-14(19)10-17-13(18)9-11-4-6-12(15)7-5-11/h4-7H,2-3,8-10H2,1H3,(H,16,19)(H,17,18)
InChIKeyDYUCTTJCDGWMCT-UHFFFAOYSA-N
XLogP1.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
CID 112990658
N-[2-(hexylamino)-2-oxoethyl]-2-phenylacetamide
CID 78801953
2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
CID 112993239
2-(4-fluorophenyl)-N-[4-(4-fluorophenyl)butyl]acetamide
CID 110288734
N-[3-(4-fluorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 92684324
2-(4-fluorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide
CID 100706292
2-[4-(aminomethyl)phenyl]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 63588886
2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
CID 112990659
N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide
CID 78784679
2-(4-fluorophenyl)-N-(3-methyl-2-oxobutyl)acetamide
CID 64996810
N-butyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771261
6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid
CID 16793042

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylamino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-(butylamino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide (CID 112990632) is N-[2-(butylamino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(butylamino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(butylamino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide is CCCCNC(=O)CNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-[2-(butylamino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is DYUCTTJCDGWMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-2-3-8-16-14(19)10-17-13(18)9-11-4-6-12(15)7-5-11/h4-7H,2-3,8-10H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-(butylamino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide?
N-[2-(butylamino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 266.32 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylamino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 112990632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).