1-[2-(N-butylanilino)-5-fluorophenyl]ethanone

C18H20FNO — CID 64584619

IUPAC1-[2-(N-butylanilino)-5-fluorophenyl]ethanone
SMILESCCCCN(c1ccccc1)c1ccc(F)cc1C(C)=O
InChIInChI=1S/C18H20FNO/c1-3-4-12-20(16-8-6-5-7-9-16)18-11-10-15(19)13-17(18)14(2)21/h5-11,13H,3-4,12H2,1-2H3
InChIKeyMLUDXBDRYOXBON-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.97
Rot. Bonds6

About 1-[2-(N-butylanilino)-5-fluorophenyl]ethanone

1-[2-(N-butylanilino)-5-fluorophenyl]ethanone (PubChem CID 64584619) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-[2-(N-butylanilino)-5-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(N-butylanilino)-5-fluorophenyl]ethanone
PubChem CID64584619
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name1-[2-(N-butylanilino)-5-fluorophenyl]ethanone
SMILESCCCCN(c1ccccc1)c1ccc(F)cc1C(C)=O
InChIInChI=1S/C18H20FNO/c1-3-4-12-20(16-8-6-5-7-9-16)18-11-10-15(19)13-17(18)14(2)21/h5-11,13H,3-4,12H2,1-2H3
InChIKeyMLUDXBDRYOXBON-UHFFFAOYSA-N
XLogP4.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-2,4-difluoro-N-phenylaniline
CID 68652325
2-(N-butylanilino)benzoic acid
CID 64586364
2-(N-butylanilino)-5-methylbenzoic acid
CID 64586948
1-[2-(N-butylanilino)-6-fluorophenyl]ethanone
CID 64584809
1-[4-(N-butylanilino)-3-chlorophenyl]ethanone
CID 64584427
1-[2-(N-ethyl-2-methylanilino)-5-fluorophenyl]ethanone
CID 28556004
4-amino-2-(N-butylanilino)benzoic acid
CID 64584256
N-butyl-4-fluoro-2-hydroxy-N-phenylbenzamide
CID 103889306
1-[2-[3-(dimethylamino)propyl-methylamino]-5-fluorophenyl]ethanone
CID 63694387
N-butyl-N-phenylaniline;hydrobromide
CID 70419495
1,4-bis(N-butylanilino)anthracene-9,10-dione
CID 71392978
4-[(1R)-1-aminoethyl]-N-butyl-2-fluoro-N-phenylaniline
CID 64585981

Frequently Asked Questions

What is the IUPAC name of 1-[2-(N-butylanilino)-5-fluorophenyl]ethanone?
The IUPAC name of 1-[2-(N-butylanilino)-5-fluorophenyl]ethanone (CID 64584619) is 1-[2-(N-butylanilino)-5-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-(N-butylanilino)-5-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-(N-butylanilino)-5-fluorophenyl]ethanone is CCCCN(c1ccccc1)c1ccc(F)cc1C(C)=O.
What is the InChIKey of 1-[2-(N-butylanilino)-5-fluorophenyl]ethanone?
The InChIKey is MLUDXBDRYOXBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-3-4-12-20(16-8-6-5-7-9-16)18-11-10-15(19)13-17(18)14(2)21/h5-11,13H,3-4,12H2,1-2H3.
What are the key properties of 1-[2-(N-butylanilino)-5-fluorophenyl]ethanone?
1-[2-(N-butylanilino)-5-fluorophenyl]ethanone has a molecular weight of 285.36 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N-butylanilino)-5-fluorophenyl]ethanone is sourced from PubChem (CID 64584619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).