3-amino-N-[(2,5-difluorophenyl)methyl]-2,2,3-trimethylbutanamide

C14H20F2N2O — CID 65266703

IUPAC3-amino-N-[(2,5-difluorophenyl)methyl]-2,2,3-trimethylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C14H20F2N2O/c1-13(2,14(3,4)17)12(19)18-8-9-7-10(15)5-6-11(9)16/h5-7H,8,17H2,1-4H3,(H,18,19)
InChIKeyBEXPXCAZGKNWIZ-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.34
Rot. Bonds4

About 3-amino-N-[(2,5-difluorophenyl)methyl]-2,2,3-trimethylbutanamide

3-amino-N-[(2,5-difluorophenyl)methyl]-2,2,3-trimethylbutanamide (PubChem CID 65266703) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 3-amino-N-[(2,5-difluorophenyl)methyl]-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-[(2,5-difluorophenyl)methyl]-2,2,3-trimethylbutanamide
PubChem CID65266703
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name3-amino-N-[(2,5-difluorophenyl)methyl]-2,2,3-trimethylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C14H20F2N2O/c1-13(2,14(3,4)17)12(19)18-8-9-7-10(15)5-6-11(9)16/h5-7H,8,17H2,1-4H3,(H,18,19)
InChIKeyBEXPXCAZGKNWIZ-UHFFFAOYSA-N
XLogP2.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-3,3-dimethylbutanamide
CID 110780967
N-(2-amino-2-methylpropyl)-2-(2,5-difluorophenyl)acetamide;hydrochloride
CID 119627760
3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3-trimethylbutanamide
CID 65266643
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
N-[(2,5-difluorophenyl)methyl]-3-oxobutanamide
CID 63795355
N-[(2,5-difluorophenyl)methyl]-2-hydrazinyl-2-oxoacetamide
CID 63791911
2-[4-(aminomethyl)phenyl]-N-[(2,5-difluorophenyl)methyl]acetamide
CID 63793376
2-cyano-N-[(2,5-difluorophenyl)methyl]-2-propylpentanamide
CID 63793595
methyl 3-[(2,5-difluorophenyl)methylamino]-3-oxopropanoate
CID 115174318
2-[(2,5-difluorophenyl)methylamino]ethylurea
CID 83111439
4-amino-N-[(2,5-difluorophenyl)methyl]-2-methylbutanamide
CID 80545149
1-(diaminomethylidene)-3-[(2,5-difluorophenyl)methyl]urea;hydrochloride
CID 19360530

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2,5-difluorophenyl)methyl]-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-[(2,5-difluorophenyl)methyl]-2,2,3-trimethylbutanamide (CID 65266703) is 3-amino-N-[(2,5-difluorophenyl)methyl]-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-[(2,5-difluorophenyl)methyl]-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-[(2,5-difluorophenyl)methyl]-2,2,3-trimethylbutanamide is CC(C)(N)C(C)(C)C(=O)NCc1cc(F)ccc1F.
What is the InChIKey of 3-amino-N-[(2,5-difluorophenyl)methyl]-2,2,3-trimethylbutanamide?
The InChIKey is BEXPXCAZGKNWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-13(2,14(3,4)17)12(19)18-8-9-7-10(15)5-6-11(9)16/h5-7H,8,17H2,1-4H3,(H,18,19).
What are the key properties of 3-amino-N-[(2,5-difluorophenyl)methyl]-2,2,3-trimethylbutanamide?
3-amino-N-[(2,5-difluorophenyl)methyl]-2,2,3-trimethylbutanamide has a molecular weight of 270.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2,5-difluorophenyl)methyl]-2,2,3-trimethylbutanamide is sourced from PubChem (CID 65266703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).