N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpropanamide

C13H18FNO — CID 110470332

IUPACN-[2-(3-fluorophenyl)propan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(C)(C)c1cccc(F)c1
InChIInChI=1S/C13H18FNO/c1-9(2)12(16)15-13(3,4)10-6-5-7-11(14)8-10/h5-9H,1-4H3,(H,15,16)
InChIKeyFNIQBQPKKBAMBL-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.83
Rot. Bonds3

About N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpropanamide

N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpropanamide (PubChem CID 110470332) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)propan-2-yl]-2-methylpropanamide
PubChem CID110470332
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-[2-(3-fluorophenyl)propan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(C)(C)c1cccc(F)c1
InChIInChI=1S/C13H18FNO/c1-9(2)12(16)15-13(3,4)10-6-5-7-11(14)8-10/h5-9H,1-4H3,(H,15,16)
InChIKeyFNIQBQPKKBAMBL-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

(2S)-2-amino-N-[2-(3-fluorophenyl)propan-2-yl]propanamide
CID 119330298
2-methyl-N-[2-[3-[2-(propan-2-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]propanamide
CID 129087089
N-[2-(3-fluorophenyl)propan-2-yl]-2-phenylacetamide
CID 12790289
1-[2-(3-fluorophenyl)propan-2-yl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111507570
3-amino-N-[2-(3-fluorophenyl)propan-2-yl]-3-phenylpropanamide
CID 119951809
2-[2-(3-fluorophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976301
N-[2-(3-fluorophenyl)propan-2-yl]-6-methylpyridine-2-carboxamide
CID 110472200
N-[2-(2-fluorophenyl)propan-2-yl]-2-methylpropanamide
CID 110441926
N-[2-(3,5-dichlorophenyl)propan-2-yl]-2-methylpropanamide
CID 110478525
N-[2-(3-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 110471801
methyl 2-amino-3-fluoro-2-(3-fluorophenyl)butanoate
CID 105486320
1-[2-(3-fluorophenyl)propan-2-yl]-3-(1H-pyrrol-2-ylmethyl)urea
CID 110469779

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpropanamide (CID 110470332) is N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpropanamide is CC(C)C(=O)NC(C)(C)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpropanamide?
The InChIKey is FNIQBQPKKBAMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9(2)12(16)15-13(3,4)10-6-5-7-11(14)8-10/h5-9H,1-4H3,(H,15,16).
What are the key properties of N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpropanamide?
N-[2-(3-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-(3-fluorophenyl)propan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 110470332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).