N,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide

C14H18F3NO — CID 121446847

IUPACN,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1cc(F)cc(F)c1F
InChIInChI=1S/C14H18F3NO/c1-5-14(2,3)13(19)18(4)8-9-6-10(15)7-11(16)12(9)17/h6-7H,5,8H2,1-4H3
InChIKeyNLVAZOSKQRHRCB-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.50
Rot. Bonds4

About N,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide

N,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide (PubChem CID 121446847) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide
PubChem CID121446847
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC NameN,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1cc(F)cc(F)c1F
InChIInChI=1S/C14H18F3NO/c1-5-14(2,3)13(19)18(4)8-9-6-10(15)7-11(16)12(9)17/h6-7H,5,8H2,1-4H3
InChIKeyNLVAZOSKQRHRCB-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide?
The IUPAC name of N,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide (CID 121446847) is N,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide.
What is the SMILES notation for N,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide?
The canonical SMILES for N,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide is CCC(C)(C)C(=O)N(C)Cc1cc(F)cc(F)c1F.
What is the InChIKey of N,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide?
The InChIKey is NLVAZOSKQRHRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-5-14(2,3)13(19)18(4)8-9-6-10(15)7-11(16)12(9)17/h6-7H,5,8H2,1-4H3.
What are the key properties of N,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide?
N,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide has a molecular weight of 273.30 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide is sourced from PubChem (CID 121446847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).