3-amino-N-(2,3-difluorophenyl)-3-methylbutanamide

C11H14F2N2O — CID 64678372

IUPAC3-amino-N-(2,3-difluorophenyl)-3-methylbutanamide
SMILESCC(C)(N)CC(=O)Nc1cccc(F)c1F
InChIInChI=1S/C11H14F2N2O/c1-11(2,14)6-9(16)15-8-5-3-4-7(12)10(8)13/h3-5H,6,14H2,1-2H3,(H,15,16)
InChIKeyVIQRNKXZZDXYNE-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.03
Rot. Bonds3

About 3-amino-N-(2,3-difluorophenyl)-3-methylbutanamide

3-amino-N-(2,3-difluorophenyl)-3-methylbutanamide (PubChem CID 64678372) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 3-amino-N-(2,3-difluorophenyl)-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(2,3-difluorophenyl)-3-methylbutanamide
PubChem CID64678372
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name3-amino-N-(2,3-difluorophenyl)-3-methylbutanamide
SMILESCC(C)(N)CC(=O)Nc1cccc(F)c1F
InChIInChI=1S/C11H14F2N2O/c1-11(2,14)6-9(16)15-8-5-3-4-7(12)10(8)13/h3-5H,6,14H2,1-2H3,(H,15,16)
InChIKeyVIQRNKXZZDXYNE-UHFFFAOYSA-N
XLogP2.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(3-fluoro-2-methylphenyl)-3-methylbutanamide
CID 64678036
3-amino-N-(2,6-difluorophenyl)-3-methylbutanamide
CID 64684364
3-amino-N-(2-bromo-6-fluorophenyl)-3-methylbutanamide
CID 107599929
ethyl 3-(2,3-difluoroanilino)-3-oxopropanoate
CID 110474181
2-amino-N-(2,3-difluorophenyl)-2-phenylpropanamide
CID 62488948
3-amino-N-(2-iodophenyl)-3-methylbutanamide
CID 64684765
N-(2,3-difluorophenyl)-4-hydroxypentanamide
CID 79193547
2-[(3-amino-3-methylbutanoyl)amino]-4,5-difluorobenzoic acid
CID 64679134
2-[(3-amino-3-methylbutanoyl)amino]-6-methylbenzoic acid
CID 64676890
[[2-(2,3-difluoroanilino)-2-oxoethyl]amino]carbamic acid
CID 69121080
1-amino-3-(2,3-difluorophenyl)urea
CID 61075420
1-(2,3-difluorophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111926195

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-difluorophenyl)-3-methylbutanamide?
The IUPAC name of 3-amino-N-(2,3-difluorophenyl)-3-methylbutanamide (CID 64678372) is 3-amino-N-(2,3-difluorophenyl)-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-(2,3-difluorophenyl)-3-methylbutanamide?
The canonical SMILES for 3-amino-N-(2,3-difluorophenyl)-3-methylbutanamide is CC(C)(N)CC(=O)Nc1cccc(F)c1F.
What is the InChIKey of 3-amino-N-(2,3-difluorophenyl)-3-methylbutanamide?
The InChIKey is VIQRNKXZZDXYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-11(2,14)6-9(16)15-8-5-3-4-7(12)10(8)13/h3-5H,6,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-N-(2,3-difluorophenyl)-3-methylbutanamide?
3-amino-N-(2,3-difluorophenyl)-3-methylbutanamide has a molecular weight of 228.24 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3-difluorophenyl)-3-methylbutanamide is sourced from PubChem (CID 64678372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).