4-amino-N-(3,4-difluorophenyl)-2-methylbutanamide

C11H14F2N2O — CID 80542126

IUPAC4-amino-N-(3,4-difluorophenyl)-2-methylbutanamide
SMILESCC(CCN)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C11H14F2N2O/c1-7(4-5-14)11(16)15-8-2-3-9(12)10(13)6-8/h2-3,6-7H,4-5,14H2,1H3,(H,15,16)
InChIKeyLYJFRZMJLXTEPF-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.89
Rot. Bonds4

About 4-amino-N-(3,4-difluorophenyl)-2-methylbutanamide

4-amino-N-(3,4-difluorophenyl)-2-methylbutanamide (PubChem CID 80542126) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 4-amino-N-(3,4-difluorophenyl)-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(3,4-difluorophenyl)-2-methylbutanamide
PubChem CID80542126
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name4-amino-N-(3,4-difluorophenyl)-2-methylbutanamide
SMILESCC(CCN)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C11H14F2N2O/c1-7(4-5-14)11(16)15-8-2-3-9(12)10(13)6-8/h2-3,6-7H,4-5,14H2,1H3,(H,15,16)
InChIKeyLYJFRZMJLXTEPF-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(4-chloro-3-fluorophenyl)-2-methylbutanamide
CID 80543505
5-[(4-amino-2-methylbutanoyl)amino]-2-fluorobenzoic acid
CID 80542603
4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbutanamide
CID 80542482
4-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylbutanamide
CID 80542664
N-(4-acetamidophenyl)-4-amino-2-methylbutanamide
CID 80542104
(2S)-4-amino-N-(4-chloro-3-methylphenyl)-2-methylbutanamide
CID 170264446
4-amino-2-methyl-N-[4-(trifluoromethyl)phenyl]butanamide
CID 80542056
4-amino-2-methyl-N-(3-methylphenyl)butanamide
CID 80542067
N-(4-acetylphenyl)-4-amino-2-methylbutanamide
CID 80543884
2-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 51248549
3-(3,4-difluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114896864
5-amino-N-(3-cyano-4-fluorophenyl)-2-methylpentanamide
CID 113440983

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,4-difluorophenyl)-2-methylbutanamide?
The IUPAC name of 4-amino-N-(3,4-difluorophenyl)-2-methylbutanamide (CID 80542126) is 4-amino-N-(3,4-difluorophenyl)-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-(3,4-difluorophenyl)-2-methylbutanamide?
The canonical SMILES for 4-amino-N-(3,4-difluorophenyl)-2-methylbutanamide is CC(CCN)C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 4-amino-N-(3,4-difluorophenyl)-2-methylbutanamide?
The InChIKey is LYJFRZMJLXTEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-7(4-5-14)11(16)15-8-2-3-9(12)10(13)6-8/h2-3,6-7H,4-5,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-(3,4-difluorophenyl)-2-methylbutanamide?
4-amino-N-(3,4-difluorophenyl)-2-methylbutanamide has a molecular weight of 228.24 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,4-difluorophenyl)-2-methylbutanamide is sourced from PubChem (CID 80542126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).