2-amino-N-fluoro-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide

C16H24FN3O2 — CID 174903207

IUPAC2-amino-N-fluoro-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
SMILESCNC(=O)C(Cc1ccccc1)N(F)C(=O)C(N)CC(C)C
InChIInChI=1S/C16H24FN3O2/c1-11(2)9-13(18)16(22)20(17)14(15(21)19-3)10-12-7-5-4-6-8-12/h4-8,11,13-14H,9-10,18H2,1-3H3,(H,19,21)
InChIKeyRKWWAVZMNBFGDS-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.43
Rot. Bonds7

About 2-amino-N-fluoro-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide

2-amino-N-fluoro-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide (PubChem CID 174903207) has the molecular formula C16H24FN3O2 and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-amino-N-fluoro-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide.

Molecular Properties

Compound Name2-amino-N-fluoro-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
PubChem CID174903207
Molecular FormulaC16H24FN3O2
Molecular Weight309.39 g/mol
Exact Mass309.19
IUPAC Name2-amino-N-fluoro-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
SMILESCNC(=O)C(Cc1ccccc1)N(F)C(=O)C(N)CC(C)C
InChIInChI=1S/C16H24FN3O2/c1-11(2)9-13(18)16(22)20(17)14(15(21)19-3)10-12-7-5-4-6-8-12/h4-8,11,13-14H,9-10,18H2,1-3H3,(H,19,21)
InChIKeyRKWWAVZMNBFGDS-UHFFFAOYSA-N
XLogP1.43
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 2-amino-N-fluoro-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 21262270
(2S)-2-amino-4-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 18394511
N-[(2S)-2-amino-4-methylpentanoyl]-4-(1,3-dioxoisoindol-2-yl)-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]hexanamide
CID 54491032
2-amino-N-(2-aminoacetyl)-N'-(2-amino-3-phenylpropanoyl)-4-methylpentanehydrazide
CID 174837586
methyl (2S)-2-[bis[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoate
CID 67739621
(2R)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-3-phenylpropanamide
CID 78985610
2-[(2-amino-4-methylpentanoyl)amino]-3-phenylpropanoic acid;urea
CID 174908772
3-amino-5-methylhexan-2-one;3-methyl-4-phenylbutan-2-one
CID 161370399
2-[(2-amino-4-methylpentanoyl)-benzylamino]acetic acid
CID 70469466
(2S)-2-amino-N-(4-iodo-3-oxo-1-phenylbutan-2-yl)-4-methyl-N-morpholin-4-ylsulfonylpentanamide
CID 57048405
methyl 2-[(2-amino-4-methylpentanoyl)amino]-3-phenylpropanoate;hydrochloride
CID 52993176
(2R)-2-amino-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 11059230

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-fluoro-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide?
The IUPAC name of 2-amino-N-fluoro-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide (CID 174903207) is 2-amino-N-fluoro-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide.
What is the SMILES notation for 2-amino-N-fluoro-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide?
The canonical SMILES for 2-amino-N-fluoro-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide is CNC(=O)C(Cc1ccccc1)N(F)C(=O)C(N)CC(C)C.
What is the InChIKey of 2-amino-N-fluoro-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide?
The InChIKey is RKWWAVZMNBFGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2/c1-11(2)9-13(18)16(22)20(17)14(15(21)19-3)10-12-7-5-4-6-8-12/h4-8,11,13-14H,9-10,18H2,1-3H3,(H,19,21).
What are the key properties of 2-amino-N-fluoro-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide?
2-amino-N-fluoro-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide has a molecular weight of 309.39 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-fluoro-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide is sourced from PubChem (CID 174903207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).