2-(4-fluoro-3,5-dimethylanilino)propanamide

C11H15FN2O — CID 143730573

IUPAC2-(4-fluoro-3,5-dimethylanilino)propanamide
SMILESCc1cc(NC(C)C(N)=O)cc(C)c1F
InChIInChI=1S/C11H15FN2O/c1-6-4-9(5-7(2)10(6)12)14-8(3)11(13)15/h4-5,8,14H,1-3H3,(H2,13,15)
InChIKeyJBVWYZOQAYQHQU-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.73
Rot. Bonds3

About 2-(4-fluoro-3,5-dimethylanilino)propanamide

2-(4-fluoro-3,5-dimethylanilino)propanamide (PubChem CID 143730573) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-(4-fluoro-3,5-dimethylanilino)propanamide.

Molecular Properties

Compound Name2-(4-fluoro-3,5-dimethylanilino)propanamide
PubChem CID143730573
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name2-(4-fluoro-3,5-dimethylanilino)propanamide
SMILESCc1cc(NC(C)C(N)=O)cc(C)c1F
InChIInChI=1S/C11H15FN2O/c1-6-4-9(5-7(2)10(6)12)14-8(3)11(13)15/h4-5,8,14H,1-3H3,(H2,13,15)
InChIKeyJBVWYZOQAYQHQU-UHFFFAOYSA-N
XLogP1.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4,5-trifluoroanilino)propanamide
CID 62808882
2-(3,5-dichloroanilino)propanamide
CID 43085996
(4-fluoro-3,5-dimethylphenyl)carbamic acid
CID 175535904
2-(4-chloroanilino)propanamide
CID 43085931
(2S)-2-(2,6-dimethylanilino)propanamide
CID 89462597
2-(2,3-difluoroanilino)propanamide
CID 61075391
methyl 6-amino-2-(4-fluoro-3,5-dimethylanilino)hexanoate
CID 69169743
2-(4-fluoro-2-methoxyanilino)propanamide
CID 47165201
2-[4-amino-3-(trifluoromethyl)anilino]propanamide
CID 43545460
2-(2-amino-4-fluoroanilino)propanamide
CID 43545455
(2R)-2-(3-chloroanilino)propanamide;hydrochloride
CID 164755970
2-(3,5-dimethylanilino)-3,3-dimethylbutanamide
CID 174950505

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3,5-dimethylanilino)propanamide?
The IUPAC name of 2-(4-fluoro-3,5-dimethylanilino)propanamide (CID 143730573) is 2-(4-fluoro-3,5-dimethylanilino)propanamide.
What is the SMILES notation for 2-(4-fluoro-3,5-dimethylanilino)propanamide?
The canonical SMILES for 2-(4-fluoro-3,5-dimethylanilino)propanamide is Cc1cc(NC(C)C(N)=O)cc(C)c1F.
What is the InChIKey of 2-(4-fluoro-3,5-dimethylanilino)propanamide?
The InChIKey is JBVWYZOQAYQHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-6-4-9(5-7(2)10(6)12)14-8(3)11(13)15/h4-5,8,14H,1-3H3,(H2,13,15).
What are the key properties of 2-(4-fluoro-3,5-dimethylanilino)propanamide?
2-(4-fluoro-3,5-dimethylanilino)propanamide has a molecular weight of 210.25 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3,5-dimethylanilino)propanamide is sourced from PubChem (CID 143730573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).