2-(2-fluorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide

C14H15FN2O2 — CID 106385142

IUPAC2-(2-fluorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide
SMILESCC(Oc1ccccc1F)C(=O)NCc1cc[nH]c1
InChIInChI=1S/C14H15FN2O2/c1-10(19-13-5-3-2-4-12(13)15)14(18)17-9-11-6-7-16-8-11/h2-8,10,16H,9H2,1H3,(H,17,18)
InChIKeyCXIXOHIGJQYINC-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.24
Rot. Bonds5

About 2-(2-fluorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide

2-(2-fluorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide (PubChem CID 106385142) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide
PubChem CID106385142
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name2-(2-fluorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide
SMILESCC(Oc1ccccc1F)C(=O)NCc1cc[nH]c1
InChIInChI=1S/C14H15FN2O2/c1-10(19-13-5-3-2-4-12(13)15)14(18)17-9-11-6-7-16-8-11/h2-8,10,16H,9H2,1H3,(H,17,18)
InChIKeyCXIXOHIGJQYINC-UHFFFAOYSA-N
XLogP2.24
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 7892059
2-(4-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385458
(2S)-2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 26529894
(2R)-2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 41187411
N-[(2-fluorophenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 17068382
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(2-fluorophenoxy)propanamide
CID 121137500
2-(2-fluorophenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318363
2-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120830406
2-(2-fluorophenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide
CID 103771605
4-[2-(2-fluorophenoxy)propanoylamino]-2-hydroxybutanoic acid
CID 107832248
5-[2-(2-fluorophenoxy)propanoylamino]-2-methylpentanoic acid
CID 104682391
2-(2-fluorophenoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 78956697

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide (CID 106385142) is 2-(2-fluorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide is CC(Oc1ccccc1F)C(=O)NCc1cc[nH]c1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide?
The InChIKey is CXIXOHIGJQYINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-10(19-13-5-3-2-4-12(13)15)14(18)17-9-11-6-7-16-8-11/h2-8,10,16H,9H2,1H3,(H,17,18).
What are the key properties of 2-(2-fluorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide?
2-(2-fluorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide has a molecular weight of 262.28 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide is sourced from PubChem (CID 106385142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).