N-ethyl-N-(3-fluoro-4-methylphenyl)butanamide

C13H18FNO — CID 142224327

IUPACN-ethyl-N-(3-fluoro-4-methylphenyl)butanamide
SMILESCCCC(=O)N(CC)c1ccc(C)c(F)c1
InChIInChI=1S/C13H18FNO/c1-4-6-13(16)15(5-2)11-8-7-10(3)12(14)9-11/h7-9H,4-6H2,1-3H3
InChIKeyNYEBRBXKVVOURD-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.29
Rot. Bonds4

About N-ethyl-N-(3-fluoro-4-methylphenyl)butanamide

N-ethyl-N-(3-fluoro-4-methylphenyl)butanamide (PubChem CID 142224327) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-ethyl-N-(3-fluoro-4-methylphenyl)butanamide.

Molecular Properties

Compound NameN-ethyl-N-(3-fluoro-4-methylphenyl)butanamide
PubChem CID142224327
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-ethyl-N-(3-fluoro-4-methylphenyl)butanamide
SMILESCCCC(=O)N(CC)c1ccc(C)c(F)c1
InChIInChI=1S/C13H18FNO/c1-4-6-13(16)15(5-2)11-8-7-10(3)12(14)9-11/h7-9H,4-6H2,1-3H3
InChIKeyNYEBRBXKVVOURD-UHFFFAOYSA-N
XLogP3.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-(3,4-difluorophenyl)-N-ethylacetamide
CID 28794968
N-(3,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)acetamide
CID 55592767
N-ethyl-N-(4-fluorophenyl)hexanamide
CID 78806862
N-(3,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)sulfanylpropanamide
CID 55593466
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
3-(2,4-dimethylphenyl)-N-ethyl-N-(4-fluorophenyl)propanamide
CID 134055535
N-ethyl-N-(3-fluoro-4-piperazin-1-ylphenyl)hexanamide
CID 91610900
N-(4-bromo-3-methylphenyl)-N-butylbutanamide
CID 71107081
2-amino-N-(3-chloro-4-fluorophenyl)-N-ethylacetamide
CID 28794782
N-ethyl-N-(3-fluorophenyl)-3-sulfanylpropanamide
CID 107027159
2-(4-chlorophenoxy)-N-(3,4-difluorophenyl)-N-ethylacetamide
CID 55593364
N-(3,4-difluorophenyl)-N-ethyl-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 55592039

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-fluoro-4-methylphenyl)butanamide?
The IUPAC name of N-ethyl-N-(3-fluoro-4-methylphenyl)butanamide (CID 142224327) is N-ethyl-N-(3-fluoro-4-methylphenyl)butanamide.
What is the SMILES notation for N-ethyl-N-(3-fluoro-4-methylphenyl)butanamide?
The canonical SMILES for N-ethyl-N-(3-fluoro-4-methylphenyl)butanamide is CCCC(=O)N(CC)c1ccc(C)c(F)c1.
What is the InChIKey of N-ethyl-N-(3-fluoro-4-methylphenyl)butanamide?
The InChIKey is NYEBRBXKVVOURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-4-6-13(16)15(5-2)11-8-7-10(3)12(14)9-11/h7-9H,4-6H2,1-3H3.
What are the key properties of N-ethyl-N-(3-fluoro-4-methylphenyl)butanamide?
N-ethyl-N-(3-fluoro-4-methylphenyl)butanamide has a molecular weight of 223.29 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-fluoro-4-methylphenyl)butanamide is sourced from PubChem (CID 142224327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).