2-ethyl-N-(2-fluoro-5-methylphenyl)butanamide

C13H18FNO — CID 52892789

IUPAC2-ethyl-N-(2-fluoro-5-methylphenyl)butanamide
SMILESCCC(CC)C(=O)Nc1cc(C)ccc1F
InChIInChI=1S/C13H18FNO/c1-4-10(5-2)13(16)15-12-8-9(3)6-7-11(12)14/h6-8,10H,4-5H2,1-3H3,(H,15,16)
InChIKeyAIXQXBFXIFDCHE-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.51
Rot. Bonds4

About 2-ethyl-N-(2-fluoro-5-methylphenyl)butanamide

2-ethyl-N-(2-fluoro-5-methylphenyl)butanamide (PubChem CID 52892789) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-ethyl-N-(2-fluoro-5-methylphenyl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(2-fluoro-5-methylphenyl)butanamide
PubChem CID52892789
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-ethyl-N-(2-fluoro-5-methylphenyl)butanamide
SMILESCCC(CC)C(=O)Nc1cc(C)ccc1F
InChIInChI=1S/C13H18FNO/c1-4-10(5-2)13(16)15-12-8-9(3)6-7-11(12)14/h6-8,10H,4-5H2,1-3H3,(H,15,16)
InChIKeyAIXQXBFXIFDCHE-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-amino-N-(2-fluoro-5-methylphenyl)butanamide
CID 79025128
2-ethyl-N-(2-fluoro-4-methylphenyl)pentanamide
CID 145282464
2-ethyl-N-(2-hydroxy-4-methylphenyl)butanamide
CID 1234613
N-(4-chloro-2-methylphenyl)-2-ethylbutanamide
CID 882107
N-(2-fluoro-5-methylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)butanamide
CID 19553458
3-[(2-fluoro-5-methylphenyl)carbamoylamino]butanoic acid
CID 61194813
2-amino-N-(2-fluoro-5-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 76892554
N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 7718843
chloromethyl N-(2-fluoro-5-methylphenyl)carbamate
CID 164652670
4-(2-fluoro-5-methylanilino)-4-oxobutanoic acid
CID 6470807
1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 742689
N-(2-fluoro-5-methylphenyl)-2-methyl-3-phenylsulfanylpropanamide
CID 86933371

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-fluoro-5-methylphenyl)butanamide?
The IUPAC name of 2-ethyl-N-(2-fluoro-5-methylphenyl)butanamide (CID 52892789) is 2-ethyl-N-(2-fluoro-5-methylphenyl)butanamide.
What is the SMILES notation for 2-ethyl-N-(2-fluoro-5-methylphenyl)butanamide?
The canonical SMILES for 2-ethyl-N-(2-fluoro-5-methylphenyl)butanamide is CCC(CC)C(=O)Nc1cc(C)ccc1F.
What is the InChIKey of 2-ethyl-N-(2-fluoro-5-methylphenyl)butanamide?
The InChIKey is AIXQXBFXIFDCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-4-10(5-2)13(16)15-12-8-9(3)6-7-11(12)14/h6-8,10H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 2-ethyl-N-(2-fluoro-5-methylphenyl)butanamide?
2-ethyl-N-(2-fluoro-5-methylphenyl)butanamide has a molecular weight of 223.29 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-fluoro-5-methylphenyl)butanamide is sourced from PubChem (CID 52892789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).