2-(3-fluorophenoxy)-N-(6-indol-1-ylpyrimidin-4-yl)propanamide

C21H17FN4O2 — CID 71805463

IUPAC2-(3-fluorophenoxy)-N-(6-indol-1-ylpyrimidin-4-yl)propanamide
SMILESCC(Oc1cccc(F)c1)C(=O)Nc1cc(-n2ccc3ccccc32)ncn1
InChIInChI=1S/C21H17FN4O2/c1-14(28-17-7-4-6-16(22)11-17)21(27)25-19-12-20(24-13-23-19)26-10-9-15-5-2-3-8-18(15)26/h2-14H,1H3,(H,23,24,25,27)
InChIKeyNDBIJDSGVTZVIU-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.97
Rot. Bonds5

About 2-(3-fluorophenoxy)-N-(6-indol-1-ylpyrimidin-4-yl)propanamide

2-(3-fluorophenoxy)-N-(6-indol-1-ylpyrimidin-4-yl)propanamide (PubChem CID 71805463) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-(6-indol-1-ylpyrimidin-4-yl)propanamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-(6-indol-1-ylpyrimidin-4-yl)propanamide
PubChem CID71805463
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name2-(3-fluorophenoxy)-N-(6-indol-1-ylpyrimidin-4-yl)propanamide
SMILESCC(Oc1cccc(F)c1)C(=O)Nc1cc(-n2ccc3ccccc32)ncn1
InChIInChI=1S/C21H17FN4O2/c1-14(28-17-7-4-6-16(22)11-17)21(27)25-19-12-20(24-13-23-19)26-10-9-15-5-2-3-8-18(15)26/h2-14H,1H3,(H,23,24,25,27)
InChIKeyNDBIJDSGVTZVIU-UHFFFAOYSA-N
XLogP3.97
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-phenoxypropanamide
CID 90543811
N-(2-ethylphenyl)-2-(3-fluorophenoxy)propanamide
CID 86918484
2-(3-fluorophenoxy)-N-[2-(hydroxymethyl)phenyl]propanamide
CID 61497915
N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 51233943
N-(4-cyanophenyl)-2-(3-fluorophenoxy)propanamide
CID 43176837
(2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 30865784
methyl N-[3-[2-(3-fluorophenoxy)propanoylamino]phenyl]carbamate
CID 87025785
N-(3-bromophenyl)-2-(3-fluorophenoxy)propanamide
CID 47119298
(2S)-N-(4-acetylphenyl)-2-(3-fluorophenoxy)propanamide
CID 7834470
N-(2,5-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 78762135
2-(3,4-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide
CID 90543816
(2R)-2-(3-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 7834533

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-(6-indol-1-ylpyrimidin-4-yl)propanamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-(6-indol-1-ylpyrimidin-4-yl)propanamide (CID 71805463) is 2-(3-fluorophenoxy)-N-(6-indol-1-ylpyrimidin-4-yl)propanamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-(6-indol-1-ylpyrimidin-4-yl)propanamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-(6-indol-1-ylpyrimidin-4-yl)propanamide is CC(Oc1cccc(F)c1)C(=O)Nc1cc(-n2ccc3ccccc32)ncn1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-(6-indol-1-ylpyrimidin-4-yl)propanamide?
The InChIKey is NDBIJDSGVTZVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-14(28-17-7-4-6-16(22)11-17)21(27)25-19-12-20(24-13-23-19)26-10-9-15-5-2-3-8-18(15)26/h2-14H,1H3,(H,23,24,25,27).
What are the key properties of 2-(3-fluorophenoxy)-N-(6-indol-1-ylpyrimidin-4-yl)propanamide?
2-(3-fluorophenoxy)-N-(6-indol-1-ylpyrimidin-4-yl)propanamide has a molecular weight of 376.39 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-(6-indol-1-ylpyrimidin-4-yl)propanamide is sourced from PubChem (CID 71805463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).