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

C14H19F2NO — CID 121446778

IUPACN-[(2,3-difluorophenyl)methyl]-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1cccc(F)c1F
InChIInChI=1S/C14H19F2NO/c1-5-14(2,3)13(18)17(4)9-10-7-6-8-11(15)12(10)16/h6-8H,5,9H2,1-4H3
InChIKeyUJAJXMGIMOOOIH-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.36
Rot. Bonds4

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

N-[(2,3-difluorophenyl)methyl]-N,2,2-trimethylbutanamide (PubChem CID 121446778) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-N,2,2-trimethylbutanamide.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-N,2,2-trimethylbutanamide
PubChem CID121446778
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC NameN-[(2,3-difluorophenyl)methyl]-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1cccc(F)c1F
InChIInChI=1S/C14H19F2NO/c1-5-14(2,3)13(18)17(4)9-10-7-6-8-11(15)12(10)16/h6-8H,5,9H2,1-4H3
InChIKeyUJAJXMGIMOOOIH-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-N,2,2-trimethylbutanamide?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-N,2,2-trimethylbutanamide (CID 121446778) is N-[(2,3-difluorophenyl)methyl]-N,2,2-trimethylbutanamide.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-N,2,2-trimethylbutanamide?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-N,2,2-trimethylbutanamide is CCC(C)(C)C(=O)N(C)Cc1cccc(F)c1F.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-N,2,2-trimethylbutanamide?
The InChIKey is UJAJXMGIMOOOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-5-14(2,3)13(18)17(4)9-10-7-6-8-11(15)12(10)16/h6-8H,5,9H2,1-4H3.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-N,2,2-trimethylbutanamide?
N-[(2,3-difluorophenyl)methyl]-N,2,2-trimethylbutanamide has a molecular weight of 255.31 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-N,2,2-trimethylbutanamide is sourced from PubChem (CID 121446778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).