N-[2-(2-fluorophenyl)propan-2-yl]-2-methylpropanamide

C13H18FNO — CID 110441926

IUPACN-[2-(2-fluorophenyl)propan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(C)(C)c1ccccc1F
InChIInChI=1S/C13H18FNO/c1-9(2)12(16)15-13(3,4)10-7-5-6-8-11(10)14/h5-9H,1-4H3,(H,15,16)
InChIKeySADUPYLEGRUOCY-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.83
Rot. Bonds3

About N-[2-(2-fluorophenyl)propan-2-yl]-2-methylpropanamide

N-[2-(2-fluorophenyl)propan-2-yl]-2-methylpropanamide (PubChem CID 110441926) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)propan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)propan-2-yl]-2-methylpropanamide
PubChem CID110441926
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-[2-(2-fluorophenyl)propan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(C)(C)c1ccccc1F
InChIInChI=1S/C13H18FNO/c1-9(2)12(16)15-13(3,4)10-7-5-6-8-11(10)14/h5-9H,1-4H3,(H,15,16)
InChIKeySADUPYLEGRUOCY-UHFFFAOYSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-3-(azetidin-1-yl)-N-[2-(2-fluorophenyl)propan-2-yl]-2-methylpropanamide
CID 166072160
N-[2-(2-fluorophenyl)propan-2-yl]-2-(methylamino)acetamide
CID 110460359
3-fluoro-N-[2-(2-fluorophenyl)propan-2-yl]pyridine-2-carboxamide
CID 110474902
N-[2-(2-fluorophenyl)propan-2-yl]-2-(2-methoxyphenyl)acetamide
CID 110446497
2-chloro-N-[2-(2-fluorophenyl)propan-2-yl]benzamide
CID 110441991
N-[2-(2-fluorophenyl)propan-2-yl]-2-pyridin-4-ylacetamide
CID 110468157
(2S)-2-(azetidin-1-ylmethyl)-N-[2-(2-fluorophenyl)propan-2-yl]butanamide
CID 166071996
N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpropanamide
CID 110470332
N-[2-(2-fluorophenyl)propan-2-yl]pyridine-2-carboxamide
CID 110444346
N-[2-(2-fluorophenyl)propan-2-yl]furan-2-carboxamide
CID 110443410
N-[2-(2-fluorophenyl)propan-2-yl]-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110446437
2-chloro-N-[2-(3-chloro-2-fluorophenyl)propan-2-yl]propanamide
CID 146098718

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)propan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[2-(2-fluorophenyl)propan-2-yl]-2-methylpropanamide (CID 110441926) is N-[2-(2-fluorophenyl)propan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)propan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-(2-fluorophenyl)propan-2-yl]-2-methylpropanamide is CC(C)C(=O)NC(C)(C)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)propan-2-yl]-2-methylpropanamide?
The InChIKey is SADUPYLEGRUOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9(2)12(16)15-13(3,4)10-7-5-6-8-11(10)14/h5-9H,1-4H3,(H,15,16).
What are the key properties of N-[2-(2-fluorophenyl)propan-2-yl]-2-methylpropanamide?
N-[2-(2-fluorophenyl)propan-2-yl]-2-methylpropanamide has a molecular weight of 223.29 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)propan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 110441926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).