N-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

C15H21FN2O2 — CID 25474927

IUPACN-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESC[C@@H](NC(=O)C(C)(C)C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2/c1-10(18-14(20)15(2,3)4)13(19)17-9-11-5-7-12(16)8-6-11/h5-8,10H,9H2,1-4H3,(H,17,19)(H,18,20)/t10-/m1/s1
InChIKeyYMIBYRCRJKBPLB-SNVBAGLBSA-N
MW280.34 g/mol
LogP1.99
Rot. Bonds4

About N-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

N-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (PubChem CID 25474927) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
PubChem CID25474927
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESC[C@@H](NC(=O)C(C)(C)C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2/c1-10(18-14(20)15(2,3)4)13(19)17-9-11-5-7-12(16)8-6-11/h5-8,10H,9H2,1-4H3,(H,17,19)(H,18,20)/t10-/m1/s1
InChIKeyYMIBYRCRJKBPLB-SNVBAGLBSA-N
XLogP1.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 54209319
(2R)-N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]propanamide
CID 38214366
(2S)-2-acetamido-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 7478812
(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide
CID 94606450
2-chloro-N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 2712751
2-bromo-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 24695966
2-(carbamoylamino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 18159154
tert-butyl N-[(2R)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 54757476
(2S)-N-[(4-fluorophenyl)methyl]-2-methylsulfonylpropanamide
CID 51946192
2-(carbamoylamino)-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 3934919
2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-2-methylpentanamide;hydrochloride
CID 119750998
N-[(4-fluorophenyl)methyl]-N'-propan-2-yloxamide
CID 44996874

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (CID 25474927) is N-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is C[C@@H](NC(=O)C(C)(C)C)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is YMIBYRCRJKBPLB-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10(18-14(20)15(2,3)4)13(19)17-9-11-5-7-12(16)8-6-11/h5-8,10H,9H2,1-4H3,(H,17,19)(H,18,20)/t10-/m1/s1.
What are the key properties of N-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
N-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 280.34 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 25474927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).