2-(4-chloroanilino)-3-(4-fluorophenyl)-1-phenylpentan-1-one

C23H21ClFNO — CID 135010165

IUPAC2-(4-chloroanilino)-3-(4-fluorophenyl)-1-phenylpentan-1-one
SMILESCCC(c1ccc(F)cc1)C(Nc1ccc(Cl)cc1)C(=O)c1ccccc1
InChIInChI=1S/C23H21ClFNO/c1-2-21(16-8-12-19(25)13-9-16)22(23(27)17-6-4-3-5-7-17)26-20-14-10-18(24)11-15-20/h3-15,21-22,26H,2H2,1H3
InChIKeyLWWMWTIYDQPQND-UHFFFAOYSA-N
MW381.88 g/mol
LogP6.34
Rot. Bonds7

About 2-(4-chloroanilino)-3-(4-fluorophenyl)-1-phenylpentan-1-one

2-(4-chloroanilino)-3-(4-fluorophenyl)-1-phenylpentan-1-one (PubChem CID 135010165) has the molecular formula C23H21ClFNO and a molecular weight of 381.88 g/mol. Its IUPAC name is 2-(4-chloroanilino)-3-(4-fluorophenyl)-1-phenylpentan-1-one.

Molecular Properties

Compound Name2-(4-chloroanilino)-3-(4-fluorophenyl)-1-phenylpentan-1-one
PubChem CID135010165
Molecular FormulaC23H21ClFNO
Molecular Weight381.88 g/mol
Exact Mass381.13
IUPAC Name2-(4-chloroanilino)-3-(4-fluorophenyl)-1-phenylpentan-1-one
SMILESCCC(c1ccc(F)cc1)C(Nc1ccc(Cl)cc1)C(=O)c1ccccc1
InChIInChI=1S/C23H21ClFNO/c1-2-21(16-8-12-19(25)13-9-16)22(23(27)17-6-4-3-5-7-17)26-20-14-10-18(24)11-15-20/h3-15,21-22,26H,2H2,1H3
InChIKeyLWWMWTIYDQPQND-UHFFFAOYSA-N
XLogP6.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.88
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloroanilino)-1-phenylpropan-1-one
CID 14026529
(2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid
CID 7152583
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] (2R)-2-(4-fluoroanilino)-4-oxo-4-phenylbutanoate
CID 41039179
3-ethyl-2-(4-fluoroanilino)pentanoic acid
CID 61317713
(3S)-1,3-bis(4-chlorophenyl)-3-(4-fluoroanilino)propan-1-one
CID 7034447
(2S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-1-phenylbutan-1-one
CID 134934694
3-(4-chloroanilino)-1-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)propan-1-one
CID 132593664
2-(4-fluoroanilino)-3-phenylbutanoic acid
CID 61305744
2-[(1S)-1-(4-chlorophenyl)propyl]propanedioic acid
CID 902051
2-[1-(4-chlorophenyl)propyl]propanedioic acid
CID 3442135
3-anilino-3-(4-chlorophenyl)-2,2-difluoro-1-phenylpropan-1-one
CID 122213921
3-(4-fluoroanilino)-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 132592034

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-3-(4-fluorophenyl)-1-phenylpentan-1-one?
The IUPAC name of 2-(4-chloroanilino)-3-(4-fluorophenyl)-1-phenylpentan-1-one (CID 135010165) is 2-(4-chloroanilino)-3-(4-fluorophenyl)-1-phenylpentan-1-one.
What is the SMILES notation for 2-(4-chloroanilino)-3-(4-fluorophenyl)-1-phenylpentan-1-one?
The canonical SMILES for 2-(4-chloroanilino)-3-(4-fluorophenyl)-1-phenylpentan-1-one is CCC(c1ccc(F)cc1)C(Nc1ccc(Cl)cc1)C(=O)c1ccccc1.
What is the InChIKey of 2-(4-chloroanilino)-3-(4-fluorophenyl)-1-phenylpentan-1-one?
The InChIKey is LWWMWTIYDQPQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFNO/c1-2-21(16-8-12-19(25)13-9-16)22(23(27)17-6-4-3-5-7-17)26-20-14-10-18(24)11-15-20/h3-15,21-22,26H,2H2,1H3.
What are the key properties of 2-(4-chloroanilino)-3-(4-fluorophenyl)-1-phenylpentan-1-one?
2-(4-chloroanilino)-3-(4-fluorophenyl)-1-phenylpentan-1-one has a molecular weight of 381.88 g/mol, XLogP of 6.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-3-(4-fluorophenyl)-1-phenylpentan-1-one is sourced from PubChem (CID 135010165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).