3-amino-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide

C11H14F2N2O — CID 62229790

IUPAC3-amino-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
SMILESCC(CN)C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C11H14F2N2O/c1-7(5-14)11(16)15-6-8-2-3-9(12)4-10(8)13/h2-4,7H,5-6,14H2,1H3,(H,15,16)
InChIKeyQAXXTVJJSVGPOJ-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.18
Rot. Bonds4

About 3-amino-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide

3-amino-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide (PubChem CID 62229790) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 3-amino-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
PubChem CID62229790
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name3-amino-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
SMILESCC(CN)C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C11H14F2N2O/c1-7(5-14)11(16)15-6-8-2-3-9(12)4-10(8)13/h2-4,7H,5-6,14H2,1H3,(H,15,16)
InChIKeyQAXXTVJJSVGPOJ-UHFFFAOYSA-N
XLogP1.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
CID 62726867
(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119280925
2-amino-N-[(2,4-difluorophenyl)methyl]-3-methylpentanamide
CID 55053137
4-amino-N-[(2,5-difluorophenyl)methyl]-2-methylbutanamide
CID 80545149
(2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119708034
3-amino-N-[(2,4-difluorophenyl)methyl]butanamide;hydrochloride
CID 119708041
2-chloro-N-[(2,4-difluorophenyl)methylcarbamoyl]propanamide
CID 62228150
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
N'-[(2,4-difluorophenyl)methyl]oxamide
CID 115191832
N-carbamoyl-2-[(2,4-difluorophenyl)methylamino]propanamide
CID 55037642
(2S)-2-amino-3-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide
CID 112735331
2-[(2,4-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057403

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide?
The IUPAC name of 3-amino-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide (CID 62229790) is 3-amino-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide?
The canonical SMILES for 3-amino-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide is CC(CN)C(=O)NCc1ccc(F)cc1F.
What is the InChIKey of 3-amino-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide?
The InChIKey is QAXXTVJJSVGPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-7(5-14)11(16)15-6-8-2-3-9(12)4-10(8)13/h2-4,7H,5-6,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide?
3-amino-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide has a molecular weight of 228.24 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 62229790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).