3-(3-chloro-4-fluoroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

C19H20ClF2N3O — CID 109027256

IUPAC3-(3-chloro-4-fluoroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCNc1ccc(F)c(Cl)c1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H20ClF2N3O/c20-17-13-15(3-6-18(17)22)23-8-7-19(26)25-11-9-24(10-12-25)16-4-1-14(21)2-5-16/h1-6,13,23H,7-12H2
InChIKeyZHSFZIAEPFYMHO-UHFFFAOYSA-N
MW379.84 g/mol
LogP3.77
Rot. Bonds5

About 3-(3-chloro-4-fluoroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

3-(3-chloro-4-fluoroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 109027256) has the molecular formula C19H20ClF2N3O and a molecular weight of 379.84 g/mol. Its IUPAC name is 3-(3-chloro-4-fluoroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-chloro-4-fluoroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
PubChem CID109027256
Molecular FormulaC19H20ClF2N3O
Molecular Weight379.84 g/mol
Exact Mass379.13
IUPAC Name3-(3-chloro-4-fluoroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCNc1ccc(F)c(Cl)c1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H20ClF2N3O/c20-17-13-15(3-6-18(17)22)23-8-7-19(26)25-11-9-24(10-12-25)16-4-1-14(21)2-5-16/h1-6,13,23H,7-12H2
InChIKeyZHSFZIAEPFYMHO-UHFFFAOYSA-N
XLogP3.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichloroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 109002268
4-[3-(3-chloro-4-fluoroanilino)propanoyl]piperazine-1-carbaldehyde
CID 109017865
3-(2-chloro-4,6-dimethylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027257
3-(4-acetylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027275
3-(5-chloro-2-methoxyanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027259
N-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]phenyl]acetamide
CID 109027276
3-(3-acetylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027274
N-(3-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 981650
2-(2,5-dichloroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 109002270
3-(3-chloro-4-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109029310
1-(4-methylpiperazin-1-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propan-1-one
CID 109017319
2-chloro-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 26680947

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluoroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3-chloro-4-fluoroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (CID 109027256) is 3-(3-chloro-4-fluoroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-chloro-4-fluoroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-chloro-4-fluoroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is O=C(CCNc1ccc(F)c(Cl)c1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-(3-chloro-4-fluoroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is ZHSFZIAEPFYMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF2N3O/c20-17-13-15(3-6-18(17)22)23-8-7-19(26)25-11-9-24(10-12-25)16-4-1-14(21)2-5-16/h1-6,13,23H,7-12H2.
What are the key properties of 3-(3-chloro-4-fluoroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
3-(3-chloro-4-fluoroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 379.84 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluoroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 109027256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).