1-(4-fluoro-1H-indol-3-yl)-4-methyl-2-(phosphanylamino)pentan-3-one

C14H18FN2OP — CID 177194442

IUPAC1-(4-fluoro-1H-indol-3-yl)-4-methyl-2-(phosphanylamino)pentan-3-one
SMILESCC(C)C(=O)C(Cc1c[nH]c2cccc(F)c12)NP
InChIInChI=1S/C14H18FN2OP/c1-8(2)14(18)12(17-19)6-9-7-16-11-5-3-4-10(15)13(9)11/h3-5,7-8,12,16-17H,6,19H2,1-2H3
InChIKeyPBOVOJATNQWEKR-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.82
Rot. Bonds5

About 1-(4-fluoro-1H-indol-3-yl)-4-methyl-2-(phosphanylamino)pentan-3-one

1-(4-fluoro-1H-indol-3-yl)-4-methyl-2-(phosphanylamino)pentan-3-one (PubChem CID 177194442) has the molecular formula C14H18FN2OP and a molecular weight of 280.28 g/mol. Its IUPAC name is 1-(4-fluoro-1H-indol-3-yl)-4-methyl-2-(phosphanylamino)pentan-3-one.

Molecular Properties

Compound Name1-(4-fluoro-1H-indol-3-yl)-4-methyl-2-(phosphanylamino)pentan-3-one
PubChem CID177194442
Molecular FormulaC14H18FN2OP
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name1-(4-fluoro-1H-indol-3-yl)-4-methyl-2-(phosphanylamino)pentan-3-one
SMILESCC(C)C(=O)C(Cc1c[nH]c2cccc(F)c12)NP
InChIInChI=1S/C14H18FN2OP/c1-8(2)14(18)12(17-19)6-9-7-16-11-5-3-4-10(15)13(9)11/h3-5,7-8,12,16-17H,6,19H2,1-2H3
InChIKeyPBOVOJATNQWEKR-UHFFFAOYSA-N
XLogP2.82
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluoro-1H-indol-3-yl)-2-(methylamino)propanoic acid
CID 139519420
1-(4-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine
CID 117194879
2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid;ethane
CID 145142426
(2S)-2-amino-3-(4-(18F)fluoro-1H-indol-3-yl)propanoic acid
CID 177451224
3-(4-fluoro-1H-indol-3-yl)-2-(prop-2-enoxycarbonylamino)propanoic acid
CID 167733017
2-[(4-bromo-2-methylsulfanylbenzoyl)amino]-3-(4-fluoro-1H-indol-3-yl)propanoic acid
CID 166333876
2-[(5-chlorofuran-2-carbonyl)amino]-3-(4-fluoro-1H-indol-3-yl)propanoic acid
CID 167862017
potassium 2-[(2,4-dichlorophenyl)carbamoylamino]-3-(4-fluoro-1H-indol-3-yl)propanoate
CID 146076622
(E)-[(5S)-5-[[(2S)-3-(4-fluoro-1H-indol-3-yl)-2-methoxypropanoyl]amino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-iminoazanium
CID 170532514
1-(1H-indol-3-yl)-4-methyl-2-(1-sulfanylethylamino)pentan-3-one
CID 130440952
3,4-difluoro-1H-indole
CID 90939330
ethane;(4-fluoro-1H-indol-3-yl)methyl-trimethylazanium
CID 143652752

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1H-indol-3-yl)-4-methyl-2-(phosphanylamino)pentan-3-one?
The IUPAC name of 1-(4-fluoro-1H-indol-3-yl)-4-methyl-2-(phosphanylamino)pentan-3-one (CID 177194442) is 1-(4-fluoro-1H-indol-3-yl)-4-methyl-2-(phosphanylamino)pentan-3-one.
What is the SMILES notation for 1-(4-fluoro-1H-indol-3-yl)-4-methyl-2-(phosphanylamino)pentan-3-one?
The canonical SMILES for 1-(4-fluoro-1H-indol-3-yl)-4-methyl-2-(phosphanylamino)pentan-3-one is CC(C)C(=O)C(Cc1c[nH]c2cccc(F)c12)NP.
What is the InChIKey of 1-(4-fluoro-1H-indol-3-yl)-4-methyl-2-(phosphanylamino)pentan-3-one?
The InChIKey is PBOVOJATNQWEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN2OP/c1-8(2)14(18)12(17-19)6-9-7-16-11-5-3-4-10(15)13(9)11/h3-5,7-8,12,16-17H,6,19H2,1-2H3.
What are the key properties of 1-(4-fluoro-1H-indol-3-yl)-4-methyl-2-(phosphanylamino)pentan-3-one?
1-(4-fluoro-1H-indol-3-yl)-4-methyl-2-(phosphanylamino)pentan-3-one has a molecular weight of 280.28 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1H-indol-3-yl)-4-methyl-2-(phosphanylamino)pentan-3-one is sourced from PubChem (CID 177194442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).