1-[4-[3-(4-fluorophenoxy)propylamino]phenyl]ethanone

C17H18FNO2 — CID 78820464

IUPAC1-[4-[3-(4-fluorophenoxy)propylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(NCCCOc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO2/c1-13(20)14-3-7-16(8-4-14)19-11-2-12-21-17-9-5-15(18)6-10-17/h3-10,19H,2,11-12H2,1H3
InChIKeyMPTPTQCNNWFRBN-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.91
Rot. Bonds7

About 1-[4-[3-(4-fluorophenoxy)propylamino]phenyl]ethanone

1-[4-[3-(4-fluorophenoxy)propylamino]phenyl]ethanone (PubChem CID 78820464) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-[4-[3-(4-fluorophenoxy)propylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(4-fluorophenoxy)propylamino]phenyl]ethanone
PubChem CID78820464
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name1-[4-[3-(4-fluorophenoxy)propylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(NCCCOc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO2/c1-13(20)14-3-7-16(8-4-14)19-11-2-12-21-17-9-5-15(18)6-10-17/h3-10,19H,2,11-12H2,1H3
InChIKeyMPTPTQCNNWFRBN-UHFFFAOYSA-N
XLogP3.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[2-(4-chlorophenoxy)ethylamino]phenyl]ethanone
CID 82095847
4-[3-(4-tert-butylanilino)propoxy]benzoic acid
CID 14882817
2-(4-acetylphenoxy)ethylcarbamic acid
CID 69331429
N-[4-(3-phenoxypropylamino)phenyl]acetamide
CID 60678376
N-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 52595243
4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide
CID 17386974
4-(3-phenoxypropylamino)benzamide
CID 60678988
1-[4-[3-(iodoiodanuidylmethylamino)propoxy]phenyl]ethanone
CID 156719620
4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761255
1-(4-acetylphenyl)-3-(4-butoxyphenyl)thiourea
CID 95559277
3-(4-acetylanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039871
N-[2-(4-fluorophenoxy)ethyl]-4-(methanesulfonamido)benzamide
CID 37360957

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-fluorophenoxy)propylamino]phenyl]ethanone?
The IUPAC name of 1-[4-[3-(4-fluorophenoxy)propylamino]phenyl]ethanone (CID 78820464) is 1-[4-[3-(4-fluorophenoxy)propylamino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[3-(4-fluorophenoxy)propylamino]phenyl]ethanone?
The canonical SMILES for 1-[4-[3-(4-fluorophenoxy)propylamino]phenyl]ethanone is CC(=O)c1ccc(NCCCOc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[4-[3-(4-fluorophenoxy)propylamino]phenyl]ethanone?
The InChIKey is MPTPTQCNNWFRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-13(20)14-3-7-16(8-4-14)19-11-2-12-21-17-9-5-15(18)6-10-17/h3-10,19H,2,11-12H2,1H3.
What are the key properties of 1-[4-[3-(4-fluorophenoxy)propylamino]phenyl]ethanone?
1-[4-[3-(4-fluorophenoxy)propylamino]phenyl]ethanone has a molecular weight of 287.33 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-fluorophenoxy)propylamino]phenyl]ethanone is sourced from PubChem (CID 78820464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).