2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanamide

C14H21FN2O2 — CID 54892277

IUPAC2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanamide
SMILESCOC(C)(C)CC(C)(Nc1cccc(F)c1)C(N)=O
InChIInChI=1S/C14H21FN2O2/c1-13(2,19-4)9-14(3,12(16)18)17-11-7-5-6-10(15)8-11/h5-8,17H,9H2,1-4H3,(H2,16,18)
InChIKeyHSHMIMVSVJJGBI-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.30
Rot. Bonds6

About 2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanamide

2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanamide (PubChem CID 54892277) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanamide
PubChem CID54892277
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanamide
SMILESCOC(C)(C)CC(C)(Nc1cccc(F)c1)C(N)=O
InChIInChI=1S/C14H21FN2O2/c1-13(2,19-4)9-14(3,12(16)18)17-11-7-5-6-10(15)8-11/h5-8,17H,9H2,1-4H3,(H2,16,18)
InChIKeyHSHMIMVSVJJGBI-UHFFFAOYSA-N
XLogP2.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanoate
CID 60994033
methyl 2-(3-bromoanilino)-4-methoxy-2,4-dimethylpentanoate
CID 60993424
methyl 4-methoxy-2,4-dimethyl-2-(3-methylanilino)pentanoate
CID 60994642
ethyl 2-(3-fluoroanilino)-2-methylpentanoate
CID 54890603
2-(3-fluoroanilino)-2-pyridin-4-ylpropanamide
CID 54891507
methyl 2-(4-bromophenyl)-2-(3-fluoroanilino)propanoate
CID 60993042
2-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid
CID 60994028
4,4-dimethoxy-2-(3-methoxyanilino)-2-methylbutanamide
CID 66181211
methyl 2-(3-bromoanilino)-2-(3-fluorophenyl)propanoate
CID 60993281
2-(3-chloroanilino)-4,4-dimethoxy-2-methylbutanamide
CID 66180621
2-ethyl-2-(3-fluoroanilino)butanoic acid
CID 60993028
2-(cyclopropylmethylamino)-3-(3-fluorophenyl)-2-methylpropanamide
CID 114831942

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanamide?
The IUPAC name of 2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanamide (CID 54892277) is 2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanamide.
What is the SMILES notation for 2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanamide?
The canonical SMILES for 2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanamide is COC(C)(C)CC(C)(Nc1cccc(F)c1)C(N)=O.
What is the InChIKey of 2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanamide?
The InChIKey is HSHMIMVSVJJGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-13(2,19-4)9-14(3,12(16)18)17-11-7-5-6-10(15)8-11/h5-8,17H,9H2,1-4H3,(H2,16,18).
What are the key properties of 2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanamide?
2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanamide has a molecular weight of 268.33 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanamide is sourced from PubChem (CID 54892277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).