N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamide

C13H18FNO — CID 803184

IUPACN-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C13H18FNO/c1-13(2,3)8-12(16)15-9-10-4-6-11(14)7-5-10/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyYYONDZPKHGEGSY-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.88
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamide

N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamide (PubChem CID 803184) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamide
PubChem CID803184
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C13H18FNO/c1-13(2,3)8-12(16)15-9-10-4-6-11(14)7-5-10/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyYYONDZPKHGEGSY-UHFFFAOYSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamide (CID 803184) is N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamide?
The InChIKey is YYONDZPKHGEGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-13(2,3)8-12(16)15-9-10-4-6-11(14)7-5-10/h4-7H,8-9H2,1-3H3,(H,15,16).
What are the key properties of N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamide?
N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamide has a molecular weight of 223.29 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 803184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).