N-(4-fluorophenyl)-2-[3-(trifluoromethyl)azetidin-1-yl]acetamide

C12H12F4N2O — CID 163357389

IUPACN-(4-fluorophenyl)-2-[3-(trifluoromethyl)azetidin-1-yl]acetamide
SMILESO=C(CN1CC(C(F)(F)F)C1)Nc1ccc(F)cc1
InChIInChI=1S/C12H12F4N2O/c13-9-1-3-10(4-2-9)17-11(19)7-18-5-8(6-18)12(14,15)16/h1-4,8H,5-7H2,(H,17,19)
InChIKeyMPTMWUDVOMFZFF-UHFFFAOYSA-N
MW276.23 g/mol
LogP2.26
Rot. Bonds3

About N-(4-fluorophenyl)-2-[3-(trifluoromethyl)azetidin-1-yl]acetamide

N-(4-fluorophenyl)-2-[3-(trifluoromethyl)azetidin-1-yl]acetamide (PubChem CID 163357389) has the molecular formula C12H12F4N2O and a molecular weight of 276.23 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[3-(trifluoromethyl)azetidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[3-(trifluoromethyl)azetidin-1-yl]acetamide
PubChem CID163357389
Molecular FormulaC12H12F4N2O
Molecular Weight276.23 g/mol
Exact Mass276.09
IUPAC NameN-(4-fluorophenyl)-2-[3-(trifluoromethyl)azetidin-1-yl]acetamide
SMILESO=C(CN1CC(C(F)(F)F)C1)Nc1ccc(F)cc1
InChIInChI=1S/C12H12F4N2O/c13-9-1-3-10(4-2-9)17-11(19)7-18-5-8(6-18)12(14,15)16/h1-4,8H,5-7H2,(H,17,19)
InChIKeyMPTMWUDVOMFZFF-UHFFFAOYSA-N
XLogP2.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.23
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
CID 155980853
2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 171327661
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-fluorophenyl)acetamide
CID 703778
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(trifluoromethyl)azetidin-1-yl]acetamide
CID 163357043
N-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55130773
N-(4-fluorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975542
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29166416
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60967333
2-[(3R)-3-aminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 102977214
2-(3-aminopiperidin-1-yl)-N-(4-fluorophenyl)acetamide
CID 61297951
2-(4-cyclopropylsulfonylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 155980857
N,N-dimethyl-4-[[2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetyl]amino]benzamide
CID 27223796

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[3-(trifluoromethyl)azetidin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[3-(trifluoromethyl)azetidin-1-yl]acetamide (CID 163357389) is N-(4-fluorophenyl)-2-[3-(trifluoromethyl)azetidin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[3-(trifluoromethyl)azetidin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[3-(trifluoromethyl)azetidin-1-yl]acetamide is O=C(CN1CC(C(F)(F)F)C1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[3-(trifluoromethyl)azetidin-1-yl]acetamide?
The InChIKey is MPTMWUDVOMFZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4N2O/c13-9-1-3-10(4-2-9)17-11(19)7-18-5-8(6-18)12(14,15)16/h1-4,8H,5-7H2,(H,17,19).
What are the key properties of N-(4-fluorophenyl)-2-[3-(trifluoromethyl)azetidin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[3-(trifluoromethyl)azetidin-1-yl]acetamide has a molecular weight of 276.23 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[3-(trifluoromethyl)azetidin-1-yl]acetamide is sourced from PubChem (CID 163357389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).