2-(2-amino-4-fluoroanilino)-N,N-dimethylpropanamide

C11H16FN3O — CID 61464114

IUPAC2-(2-amino-4-fluoroanilino)-N,N-dimethylpropanamide
SMILESCC(Nc1ccc(F)cc1N)C(=O)N(C)C
InChIInChI=1S/C11H16FN3O/c1-7(11(16)15(2)3)14-10-5-4-8(12)6-9(10)13/h4-7,14H,13H2,1-3H3
InChIKeyDSCRZADUHFUSIT-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.30
Rot. Bonds3

About 2-(2-amino-4-fluoroanilino)-N,N-dimethylpropanamide

2-(2-amino-4-fluoroanilino)-N,N-dimethylpropanamide (PubChem CID 61464114) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-(2-amino-4-fluoroanilino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(2-amino-4-fluoroanilino)-N,N-dimethylpropanamide
PubChem CID61464114
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name2-(2-amino-4-fluoroanilino)-N,N-dimethylpropanamide
SMILESCC(Nc1ccc(F)cc1N)C(=O)N(C)C
InChIInChI=1S/C11H16FN3O/c1-7(11(16)15(2)3)14-10-5-4-8(12)6-9(10)13/h4-7,14H,13H2,1-3H3
InChIKeyDSCRZADUHFUSIT-UHFFFAOYSA-N
XLogP1.30
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-4-fluoroanilino)propanamide
CID 43545455
2-(2-amino-4-fluoroanilino)-N-ethylpropanamide
CID 61476098
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N,N-dimethylpropanamide
CID 63594207
2-(4-carbamothioyl-2-fluoroanilino)-N,N-dimethylpropanamide
CID 54950945
2-(2-amino-4-fluorophenyl)sulfanyl-N,N-dimethylpropanamide
CID 43304318
2-(4-amino-3-methylanilino)-N,N-dimethylpropanamide
CID 61464522
N-(2-amino-4-fluorophenyl)acetamide;ethane
CID 178102337
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-(2-amino-4-fluorophenyl)-3-[methyl(propan-2-yl)amino]propanamide
CID 16795601
2-[2-chloro-4-(trifluoromethyl)anilino]-N,N-dimethylpropanamide
CID 63668275
2-(4-chloro-2-iodoanilino)-N,N-dimethylpropanamide
CID 107635072
(2-amino-4-fluorophenyl)carbamic acid
CID 22318019

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluoroanilino)-N,N-dimethylpropanamide?
The IUPAC name of 2-(2-amino-4-fluoroanilino)-N,N-dimethylpropanamide (CID 61464114) is 2-(2-amino-4-fluoroanilino)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(2-amino-4-fluoroanilino)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(2-amino-4-fluoroanilino)-N,N-dimethylpropanamide is CC(Nc1ccc(F)cc1N)C(=O)N(C)C.
What is the InChIKey of 2-(2-amino-4-fluoroanilino)-N,N-dimethylpropanamide?
The InChIKey is DSCRZADUHFUSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-7(11(16)15(2)3)14-10-5-4-8(12)6-9(10)13/h4-7,14H,13H2,1-3H3.
What are the key properties of 2-(2-amino-4-fluoroanilino)-N,N-dimethylpropanamide?
2-(2-amino-4-fluoroanilino)-N,N-dimethylpropanamide has a molecular weight of 225.27 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluoroanilino)-N,N-dimethylpropanamide is sourced from PubChem (CID 61464114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).