N-[(3-fluorophenyl)methyl]-N,2,2-trimethylbutanamide

C14H20FNO — CID 121446782

IUPACN-[(3-fluorophenyl)methyl]-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C14H20FNO/c1-5-14(2,3)13(17)16(4)10-11-7-6-8-12(15)9-11/h6-9H,5,10H2,1-4H3
InChIKeyPTHPJJHUJYMDKQ-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.22
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-N,2,2-trimethylbutanamide

N-[(3-fluorophenyl)methyl]-N,2,2-trimethylbutanamide (PubChem CID 121446782) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N,2,2-trimethylbutanamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N,2,2-trimethylbutanamide
PubChem CID121446782
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-[(3-fluorophenyl)methyl]-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C14H20FNO/c1-5-14(2,3)13(17)16(4)10-11-7-6-8-12(15)9-11/h6-9H,5,10H2,1-4H3
InChIKeyPTHPJJHUJYMDKQ-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N,2,2-trimethylbutanamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N,2,2-trimethylbutanamide (CID 121446782) is N-[(3-fluorophenyl)methyl]-N,2,2-trimethylbutanamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N,2,2-trimethylbutanamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N,2,2-trimethylbutanamide is CCC(C)(C)C(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N,2,2-trimethylbutanamide?
The InChIKey is PTHPJJHUJYMDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-5-14(2,3)13(17)16(4)10-11-7-6-8-12(15)9-11/h6-9H,5,10H2,1-4H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N,2,2-trimethylbutanamide?
N-[(3-fluorophenyl)methyl]-N,2,2-trimethylbutanamide has a molecular weight of 237.32 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N,2,2-trimethylbutanamide is sourced from PubChem (CID 121446782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).