2-(4-fluoro-N-pentylanilino)acetamide

C13H19FN2O — CID 57125952

IUPAC2-(4-fluoro-N-pentylanilino)acetamide
SMILESCCCCCN(CC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-2-3-4-9-16(10-13(15)17)12-7-5-11(14)6-8-12/h5-8H,2-4,9-10H2,1H3,(H2,15,17)
InChIKeyDLJDLODZDNTRFZ-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.31
Rot. Bonds7

About 2-(4-fluoro-N-pentylanilino)acetamide

2-(4-fluoro-N-pentylanilino)acetamide (PubChem CID 57125952) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(4-fluoro-N-pentylanilino)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-N-pentylanilino)acetamide
PubChem CID57125952
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-(4-fluoro-N-pentylanilino)acetamide
SMILESCCCCCN(CC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-2-3-4-9-16(10-13(15)17)12-7-5-11(14)6-8-12/h5-8H,2-4,9-10H2,1H3,(H2,15,17)
InChIKeyDLJDLODZDNTRFZ-UHFFFAOYSA-N
XLogP2.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.31
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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Related Compounds

4-fluoro-N,N-dioctylaniline
CID 91747748
N'-(4-fluorophenyl)-N'-pentylpropane-1,3-diamine
CID 43136264
N'-(4-fluorophenyl)-N'-hexylpropane-1,3-diamine
CID 43136281
N,N-dibutyl-4-fluoroaniline
CID 15399711
2-[N-(3-aminopropyl)-4-fluoroanilino]-N-methylacetamide
CID 43136261
2-(N-butyl-4-carbamothioyl-3-chloroanilino)acetamide
CID 62947297
2-[[6-(aminomethyl)-3-pyridinyl]-butylamino]acetamide
CID 115486965
2-[butyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]acetamide
CID 81214586
2-(4-chloro-N-pentylanilino)acetic acid
CID 60834965
2-[N-butyl-4-(ethylaminomethyl)-3-methylanilino]acetamide
CID 62128442
1-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267
2-(4-chloro-N-hexylanilino)acetic acid
CID 60834817

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-pentylanilino)acetamide?
The IUPAC name of 2-(4-fluoro-N-pentylanilino)acetamide (CID 57125952) is 2-(4-fluoro-N-pentylanilino)acetamide.
What is the SMILES notation for 2-(4-fluoro-N-pentylanilino)acetamide?
The canonical SMILES for 2-(4-fluoro-N-pentylanilino)acetamide is CCCCCN(CC(N)=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluoro-N-pentylanilino)acetamide?
The InChIKey is DLJDLODZDNTRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-2-3-4-9-16(10-13(15)17)12-7-5-11(14)6-8-12/h5-8H,2-4,9-10H2,1H3,(H2,15,17).
What are the key properties of 2-(4-fluoro-N-pentylanilino)acetamide?
2-(4-fluoro-N-pentylanilino)acetamide has a molecular weight of 238.31 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-pentylanilino)acetamide is sourced from PubChem (CID 57125952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).