N-ethyl-N-(4-fluorophenyl)-3,3-dimethylbutanamide

C14H20FNO — CID 78806080

IUPACN-ethyl-N-(4-fluorophenyl)-3,3-dimethylbutanamide
SMILESCCN(C(=O)CC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c1-5-16(13(17)10-14(2,3)4)12-8-6-11(15)7-9-12/h6-9H,5,10H2,1-4H3
InChIKeyRUSHCZWMYDEEBC-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.61
Rot. Bonds3

About N-ethyl-N-(4-fluorophenyl)-3,3-dimethylbutanamide

N-ethyl-N-(4-fluorophenyl)-3,3-dimethylbutanamide (PubChem CID 78806080) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-ethyl-N-(4-fluorophenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-ethyl-N-(4-fluorophenyl)-3,3-dimethylbutanamide
PubChem CID78806080
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-ethyl-N-(4-fluorophenyl)-3,3-dimethylbutanamide
SMILESCCN(C(=O)CC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c1-5-16(13(17)10-14(2,3)4)12-8-6-11(15)7-9-12/h6-9H,5,10H2,1-4H3
InChIKeyRUSHCZWMYDEEBC-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-N-(4-fluorophenyl)-2-hydroxy-2-methylpropanamide
CID 103429881
N-ethyl-N-(4-fluorophenyl)-4-hydroxypentanamide
CID 79192647
N-ethyl-N-(4-fluorophenyl)hexanamide
CID 78806862
N-ethyl-2-(ethylamino)-N-(4-fluorophenyl)-2-methylpropanamide
CID 55121871
N-ethyl-N-(4-fluorophenyl)-2-(propan-2-ylamino)acetamide
CID 60683040
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-ethyl-N-(4-fluorophenyl)acetamide
CID 79646551
2-(2,3-dihydroxypropylsulfanyl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 79683314
(3Z)-3-amino-N-ethyl-N-(4-fluorophenyl)-3-hydroxyiminopropanamide
CID 55135186
N-ethyl-N-(4-fluorophenyl)-4-methoxybutanamide
CID 78883434
2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 106672010
N-ethyl-N-(4-fluorophenyl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 43392511
3-chloro-1-ethyl-1-(4-fluorophenyl)urea
CID 87646855

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-fluorophenyl)-3,3-dimethylbutanamide?
The IUPAC name of N-ethyl-N-(4-fluorophenyl)-3,3-dimethylbutanamide (CID 78806080) is N-ethyl-N-(4-fluorophenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-ethyl-N-(4-fluorophenyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-ethyl-N-(4-fluorophenyl)-3,3-dimethylbutanamide is CCN(C(=O)CC(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-(4-fluorophenyl)-3,3-dimethylbutanamide?
The InChIKey is RUSHCZWMYDEEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-5-16(13(17)10-14(2,3)4)12-8-6-11(15)7-9-12/h6-9H,5,10H2,1-4H3.
What are the key properties of N-ethyl-N-(4-fluorophenyl)-3,3-dimethylbutanamide?
N-ethyl-N-(4-fluorophenyl)-3,3-dimethylbutanamide has a molecular weight of 237.32 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-fluorophenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 78806080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).