N'-[(4-fluorophenyl)methyl]-2,2-dimethylbutanediamide

C13H17FN2O2 — CID 21268066

IUPACN'-[(4-fluorophenyl)methyl]-2,2-dimethylbutanediamide
SMILESCC(C)(CC(=O)NCc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C13H17FN2O2/c1-13(2,12(15)18)7-11(17)16-8-9-3-5-10(14)6-4-9/h3-6H,7-8H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyFEPUTQXOUOWJCO-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.34
Rot. Bonds5

About N'-[(4-fluorophenyl)methyl]-2,2-dimethylbutanediamide

N'-[(4-fluorophenyl)methyl]-2,2-dimethylbutanediamide (PubChem CID 21268066) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methyl]-2,2-dimethylbutanediamide.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methyl]-2,2-dimethylbutanediamide
PubChem CID21268066
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN'-[(4-fluorophenyl)methyl]-2,2-dimethylbutanediamide
SMILESCC(C)(CC(=O)NCc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C13H17FN2O2/c1-13(2,12(15)18)7-11(17)16-8-9-3-5-10(14)6-4-9/h3-6H,7-8H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyFEPUTQXOUOWJCO-UHFFFAOYSA-N
XLogP1.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethyl-4-[(4-fluorophenyl)methylamino]-4-oxobutanoic acid
CID 43397365
N'-[(4-fluorophenyl)methyl]-2-methylpentanediamide
CID 68558290
2-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 26302621
3-[(4-fluorophenyl)methylamino]-3-oxopropanoic acid
CID 62230048
2-chloro-N-[(4-fluorophenyl)methyl]acetamide
CID 2303709
1-tert-butyl-3-[(4-fluorophenyl)methyl]urea
CID 59397344
N-[(4-aminophenyl)methyl]-3,3-dimethylbutanamide
CID 60893152
3-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 119726485
2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81222834
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698
3-bromo-N-[(4-fluorophenyl)methyl]propanamide
CID 82109688
3-amino-3-methyl-N-[(4-methylphenyl)methyl]butanamide
CID 64686332

Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methyl]-2,2-dimethylbutanediamide?
The IUPAC name of N'-[(4-fluorophenyl)methyl]-2,2-dimethylbutanediamide (CID 21268066) is N'-[(4-fluorophenyl)methyl]-2,2-dimethylbutanediamide.
What is the SMILES notation for N'-[(4-fluorophenyl)methyl]-2,2-dimethylbutanediamide?
The canonical SMILES for N'-[(4-fluorophenyl)methyl]-2,2-dimethylbutanediamide is CC(C)(CC(=O)NCc1ccc(F)cc1)C(N)=O.
What is the InChIKey of N'-[(4-fluorophenyl)methyl]-2,2-dimethylbutanediamide?
The InChIKey is FEPUTQXOUOWJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-13(2,12(15)18)7-11(17)16-8-9-3-5-10(14)6-4-9/h3-6H,7-8H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of N'-[(4-fluorophenyl)methyl]-2,2-dimethylbutanediamide?
N'-[(4-fluorophenyl)methyl]-2,2-dimethylbutanediamide has a molecular weight of 252.29 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methyl]-2,2-dimethylbutanediamide is sourced from PubChem (CID 21268066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).