N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide

C13H19FN2O — CID 81366459

IUPACN-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)N[C@@H](C)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O/c1-9(10-6-5-7-11(14)8-10)16-12(17)13(2,3)15-4/h5-9,15H,1-4H3,(H,16,17)/t9-/m0/s1
InChIKeyHVVSZCCKDVMULX-VIFPVBQESA-N
MW238.31 g/mol
LogP2.00
Rot. Bonds4

About N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide

N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide (PubChem CID 81366459) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide
PubChem CID81366459
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)N[C@@H](C)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O/c1-9(10-6-5-7-11(14)8-10)16-12(17)13(2,3)15-4/h5-9,15H,1-4H3,(H,16,17)/t9-/m0/s1
InChIKeyHVVSZCCKDVMULX-VIFPVBQESA-N
XLogP2.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide
CID 62847640
2-amino-3,3,3-trifluoro-N-[1-(3-fluorophenyl)ethyl]-2-methylpropanamide
CID 79805972
2-amino-N-[1-(3-fluorophenyl)ethyl]-2-phenylpropanamide
CID 62488779
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
2-amino-2-ethyl-N-[1-(3-fluorophenyl)ethyl]butanamide
CID 79814759
tert-butyl N-[1-(3-fluorophenyl)ethyl]carbamate
CID 63787966
2-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81365784
2-amino-N-[1-(3-fluorophenyl)ethyl]-3,3-dimethylbutanamide
CID 76897375
1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylurea
CID 47015065
(2R)-2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81364932
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365596
2-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365342

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide?
The IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide (CID 81366459) is N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide.
What is the SMILES notation for N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide?
The canonical SMILES for N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide is CNC(C)(C)C(=O)N[C@@H](C)c1cccc(F)c1.
What is the InChIKey of N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide?
The InChIKey is HVVSZCCKDVMULX-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9(10-6-5-7-11(14)8-10)16-12(17)13(2,3)15-4/h5-9,15H,1-4H3,(H,16,17)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide?
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide has a molecular weight of 238.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 81366459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).