2-(4-fluorophenyl)-2-(4-methoxyanilino)-1-naphthalen-1-ylethanone

C25H20FNO2 — CID 175404541

IUPAC2-(4-fluorophenyl)-2-(4-methoxyanilino)-1-naphthalen-1-ylethanone
SMILESCOc1ccc(NC(C(=O)c2cccc3ccccc23)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H20FNO2/c1-29-21-15-13-20(14-16-21)27-24(18-9-11-19(26)12-10-18)25(28)23-8-4-6-17-5-2-3-7-22(17)23/h2-16,24,27H,1H3
InChIKeyQDHLPUYKOWUSBR-UHFFFAOYSA-N
MW385.44 g/mol
LogP6.02
Rot. Bonds6

About 2-(4-fluorophenyl)-2-(4-methoxyanilino)-1-naphthalen-1-ylethanone

2-(4-fluorophenyl)-2-(4-methoxyanilino)-1-naphthalen-1-ylethanone (PubChem CID 175404541) has the molecular formula C25H20FNO2 and a molecular weight of 385.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(4-methoxyanilino)-1-naphthalen-1-ylethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(4-methoxyanilino)-1-naphthalen-1-ylethanone
PubChem CID175404541
Molecular FormulaC25H20FNO2
Molecular Weight385.44 g/mol
Exact Mass385.15
IUPAC Name2-(4-fluorophenyl)-2-(4-methoxyanilino)-1-naphthalen-1-ylethanone
SMILESCOc1ccc(NC(C(=O)c2cccc3ccccc23)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H20FNO2/c1-29-21-15-13-20(14-16-21)27-24(18-9-11-19(26)12-10-18)25(28)23-8-4-6-17-5-2-3-7-22(17)23/h2-16,24,27H,1H3
InChIKeyQDHLPUYKOWUSBR-UHFFFAOYSA-N
XLogP6.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.44
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991336
methyl 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate
CID 24814480
N-benzyl-2-(4-fluorophenyl)-2-(4-methoxyanilino)acetamide
CID 102492656
tert-butyl (2R)-2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate
CID 102495994
4-[(1S)-1-(4-methoxyanilino)-2-oxo-2-phenylethyl]benzoic acid
CID 175404529
(3S)-3-(4-fluoroanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 704697
1-(7-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone
CID 86728829
ethyl 2-(4-methoxyanilino)-2-phenylacetate
CID 13004504
ethyl 2-anilino-2-(4-methoxyphenyl)acetate
CID 60992586
(2S)-2-(4-chlorophenyl)-2-(4-methoxyanilino)-1-[4-(2-phenylethyl)phenyl]ethanone
CID 175404533
N-[[4-(4-fluorophenyl)-5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide
CID 44912292
methyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
CID 60991897

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(4-methoxyanilino)-1-naphthalen-1-ylethanone?
The IUPAC name of 2-(4-fluorophenyl)-2-(4-methoxyanilino)-1-naphthalen-1-ylethanone (CID 175404541) is 2-(4-fluorophenyl)-2-(4-methoxyanilino)-1-naphthalen-1-ylethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(4-methoxyanilino)-1-naphthalen-1-ylethanone?
The canonical SMILES for 2-(4-fluorophenyl)-2-(4-methoxyanilino)-1-naphthalen-1-ylethanone is COc1ccc(NC(C(=O)c2cccc3ccccc23)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(4-methoxyanilino)-1-naphthalen-1-ylethanone?
The InChIKey is QDHLPUYKOWUSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FNO2/c1-29-21-15-13-20(14-16-21)27-24(18-9-11-19(26)12-10-18)25(28)23-8-4-6-17-5-2-3-7-22(17)23/h2-16,24,27H,1H3.
What are the key properties of 2-(4-fluorophenyl)-2-(4-methoxyanilino)-1-naphthalen-1-ylethanone?
2-(4-fluorophenyl)-2-(4-methoxyanilino)-1-naphthalen-1-ylethanone has a molecular weight of 385.44 g/mol, XLogP of 6.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(4-methoxyanilino)-1-naphthalen-1-ylethanone is sourced from PubChem (CID 175404541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).