N-(3-ethyl-4-fluorophenyl)-N-pentan-3-ylbutanamide

C17H26FNO — CID 71106690

IUPACN-(3-ethyl-4-fluorophenyl)-N-pentan-3-ylbutanamide
SMILESCCCC(=O)N(c1ccc(F)c(CC)c1)C(CC)CC
InChIInChI=1S/C17H26FNO/c1-5-9-17(20)19(14(7-3)8-4)15-10-11-16(18)13(6-2)12-15/h10-12,14H,5-9H2,1-4H3
InChIKeyGRPMLUWAFSBVSX-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.71
Rot. Bonds7

About N-(3-ethyl-4-fluorophenyl)-N-pentan-3-ylbutanamide

N-(3-ethyl-4-fluorophenyl)-N-pentan-3-ylbutanamide (PubChem CID 71106690) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-(3-ethyl-4-fluorophenyl)-N-pentan-3-ylbutanamide.

Molecular Properties

Compound NameN-(3-ethyl-4-fluorophenyl)-N-pentan-3-ylbutanamide
PubChem CID71106690
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-(3-ethyl-4-fluorophenyl)-N-pentan-3-ylbutanamide
SMILESCCCC(=O)N(c1ccc(F)c(CC)c1)C(CC)CC
InChIInChI=1S/C17H26FNO/c1-5-9-17(20)19(14(7-3)8-4)15-10-11-16(18)13(6-2)12-15/h10-12,14H,5-9H2,1-4H3
InChIKeyGRPMLUWAFSBVSX-UHFFFAOYSA-N
XLogP4.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-chloro-4-fluorophenyl)-N-pentan-3-ylbutanamide
CID 71107591
N-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-pentan-3-ylpentanamide
CID 71199172
N-(3,5-dimethylphenyl)-N-heptan-4-ylbutanamide
CID 71107043
N-ethyl-N-(3-fluoro-4-methylphenyl)butanamide
CID 142224327
N-(3,5-dimethylphenyl)-N-pentan-3-ylpropanamide
CID 142120576
2-ethyl-1,4-difluorobenzene
CID 23202513
2-fluoro-4-[methyl(pentan-3-yl)amino]benzoic acid
CID 115485310
2-bromo-1-(2,5-difluorophenyl)hexan-3-one
CID 62395008
4-fluoro-N,3-dimethyl-N-pentan-3-ylbenzamide
CID 63212442
3-amino-N-ethoxy-N-ethyl-3-(3-ethyl-4-fluorophenyl)propanamide
CID 174935651
N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2-fluorophenyl)methyl]butanamide
CID 133257302
(2S)-2-(3-ethyl-4-fluorophenyl)-3-oxopropanoic acid
CID 97303906

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-4-fluorophenyl)-N-pentan-3-ylbutanamide?
The IUPAC name of N-(3-ethyl-4-fluorophenyl)-N-pentan-3-ylbutanamide (CID 71106690) is N-(3-ethyl-4-fluorophenyl)-N-pentan-3-ylbutanamide.
What is the SMILES notation for N-(3-ethyl-4-fluorophenyl)-N-pentan-3-ylbutanamide?
The canonical SMILES for N-(3-ethyl-4-fluorophenyl)-N-pentan-3-ylbutanamide is CCCC(=O)N(c1ccc(F)c(CC)c1)C(CC)CC.
What is the InChIKey of N-(3-ethyl-4-fluorophenyl)-N-pentan-3-ylbutanamide?
The InChIKey is GRPMLUWAFSBVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-5-9-17(20)19(14(7-3)8-4)15-10-11-16(18)13(6-2)12-15/h10-12,14H,5-9H2,1-4H3.
What are the key properties of N-(3-ethyl-4-fluorophenyl)-N-pentan-3-ylbutanamide?
N-(3-ethyl-4-fluorophenyl)-N-pentan-3-ylbutanamide has a molecular weight of 279.40 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4-fluorophenyl)-N-pentan-3-ylbutanamide is sourced from PubChem (CID 71106690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).