1-(4-chloroanilino)-1-phenylhexan-3-one

C18H20ClNO — CID 15258850

IUPAC1-(4-chloroanilino)-1-phenylhexan-3-one
SMILESCCCC(=O)CC(Nc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H20ClNO/c1-2-6-17(21)13-18(14-7-4-3-5-8-14)20-16-11-9-15(19)10-12-16/h3-5,7-12,18,20H,2,6,13H2,1H3
InChIKeyCICJUVBADIBRJE-UHFFFAOYSA-N
MW301.82 g/mol
LogP5.25
Rot. Bonds7

About 1-(4-chloroanilino)-1-phenylhexan-3-one

1-(4-chloroanilino)-1-phenylhexan-3-one (PubChem CID 15258850) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 1-(4-chloroanilino)-1-phenylhexan-3-one.

Molecular Properties

Compound Name1-(4-chloroanilino)-1-phenylhexan-3-one
PubChem CID15258850
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name1-(4-chloroanilino)-1-phenylhexan-3-one
SMILESCCCC(=O)CC(Nc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H20ClNO/c1-2-6-17(21)13-18(14-7-4-3-5-8-14)20-16-11-9-15(19)10-12-16/h3-5,7-12,18,20H,2,6,13H2,1H3
InChIKeyCICJUVBADIBRJE-UHFFFAOYSA-N
XLogP5.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.82
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-anilino-1-(2-methoxyphenyl)hexan-3-one
CID 141367830
(1S,3R)-3-(4-chloroanilino)-1,3-diphenylpropan-1-ol
CID 129396698
1-(4-chlorophenyl)-3-(4-nitroanilino)-3-phenylpropan-1-one;2,3-dihydroxybutanedioic acid
CID 46244525
1,3-diphenyl-3-(4-propan-2-ylanilino)propan-1-one
CID 154717560
1-(4-chlorophenyl)-3-(4-nitroanilino)-3-phenylpropan-1-one;hydrobromide
CID 46243999
methyl (3S)-3-anilino-3-phenylpropanoate
CID 10777401
4-(3-chloroanilino)-4-phenylbutan-2-one
CID 102258226
3-anilino-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one
CID 12996503
methyl 5-anilino-5-(4-chlorophenyl)pentanoate
CID 14576811
1-(4-chlorophenyl)-3-(4-ethylanilino)-3-phenylpropan-1-ol
CID 132590791
N-[1-(4-chlorophenyl)butyl]-4-phenoxyaniline
CID 4712113
1-[4-(1-phenylpropylamino)phenyl]ethanone
CID 114468209

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloroanilino)-1-phenylhexan-3-one?
The IUPAC name of 1-(4-chloroanilino)-1-phenylhexan-3-one (CID 15258850) is 1-(4-chloroanilino)-1-phenylhexan-3-one.
What is the SMILES notation for 1-(4-chloroanilino)-1-phenylhexan-3-one?
The canonical SMILES for 1-(4-chloroanilino)-1-phenylhexan-3-one is CCCC(=O)CC(Nc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 1-(4-chloroanilino)-1-phenylhexan-3-one?
The InChIKey is CICJUVBADIBRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-2-6-17(21)13-18(14-7-4-3-5-8-14)20-16-11-9-15(19)10-12-16/h3-5,7-12,18,20H,2,6,13H2,1H3.
What are the key properties of 1-(4-chloroanilino)-1-phenylhexan-3-one?
1-(4-chloroanilino)-1-phenylhexan-3-one has a molecular weight of 301.82 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloroanilino)-1-phenylhexan-3-one is sourced from PubChem (CID 15258850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).