N-[2-(2-fluoroanilino)-2-oxoethyl]pentanamide

C13H17FN2O2 — CID 42765949

IUPACN-[2-(2-fluoroanilino)-2-oxoethyl]pentanamide
SMILESCCCCC(=O)NCC(=O)Nc1ccccc1F
InChIInChI=1S/C13H17FN2O2/c1-2-3-8-12(17)15-9-13(18)16-11-7-5-4-6-10(11)14/h4-7H,2-3,8-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyOMPUUQTXLNTRTH-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.07
Rot. Bonds6

About N-[2-(2-fluoroanilino)-2-oxoethyl]pentanamide

N-[2-(2-fluoroanilino)-2-oxoethyl]pentanamide (PubChem CID 42765949) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N-[2-(2-fluoroanilino)-2-oxoethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(2-fluoroanilino)-2-oxoethyl]pentanamide
PubChem CID42765949
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN-[2-(2-fluoroanilino)-2-oxoethyl]pentanamide
SMILESCCCCC(=O)NCC(=O)Nc1ccccc1F
InChIInChI=1S/C13H17FN2O2/c1-2-3-8-12(17)15-9-13(18)16-11-7-5-4-6-10(11)14/h4-7H,2-3,8-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyOMPUUQTXLNTRTH-UHFFFAOYSA-N
XLogP2.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(2-fluoroanilino)-2-oxoethyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-fluoroanilino)-2-oxoethyl]nonanamide
CID 42765956
N-(2-fluorophenyl)hexanamide
CID 3481165
2-(butylcarbamoylamino)-N-(2-fluorophenyl)acetamide
CID 3386370
N-[2-(2-bromoanilino)-2-oxoethyl]pentanamide
CID 18112658
ethyl 4-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-oxobutanoate
CID 4261484
N-(2-fluorophenyl)butanamide
CID 849021
(2S)-2-ethyl-N-[2-(2-fluoroanilino)-2-oxoethyl]hexanamide
CID 7356542
N-(2-fluorophenyl)-2-(octylamino)acetamide
CID 78914339
2-[(2-ethylphenyl)carbamoylamino]-N-(2-fluorophenyl)acetamide
CID 772197
N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]phenyl]hexanamide
CID 54842530
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]pentanamide
CID 112997994
N-(2-fluorophenyl)-5-hydroxypentanamide
CID 79019059

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoroanilino)-2-oxoethyl]pentanamide?
The IUPAC name of N-[2-(2-fluoroanilino)-2-oxoethyl]pentanamide (CID 42765949) is N-[2-(2-fluoroanilino)-2-oxoethyl]pentanamide.
What is the SMILES notation for N-[2-(2-fluoroanilino)-2-oxoethyl]pentanamide?
The canonical SMILES for N-[2-(2-fluoroanilino)-2-oxoethyl]pentanamide is CCCCC(=O)NCC(=O)Nc1ccccc1F.
What is the InChIKey of N-[2-(2-fluoroanilino)-2-oxoethyl]pentanamide?
The InChIKey is OMPUUQTXLNTRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-2-3-8-12(17)15-9-13(18)16-11-7-5-4-6-10(11)14/h4-7H,2-3,8-9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[2-(2-fluoroanilino)-2-oxoethyl]pentanamide?
N-[2-(2-fluoroanilino)-2-oxoethyl]pentanamide has a molecular weight of 252.29 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoroanilino)-2-oxoethyl]pentanamide is sourced from PubChem (CID 42765949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).