2-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-fluorobenzamide

C20H22Cl2FN3O — CID 42273465

IUPAC2-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-fluorobenzamide
SMILESO=C(NCCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1Cl
InChIInChI=1S/C20H22Cl2FN3O/c21-15-2-5-17(6-3-15)26-12-10-25(11-13-26)9-1-8-24-20(27)18-7-4-16(23)14-19(18)22/h2-7,14H,1,8-13H2,(H,24,27)
InChIKeyKPJJZLCOUNIIGC-UHFFFAOYSA-N
MW410.32 g/mol
LogP4.07
Rot. Bonds6

About 2-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-fluorobenzamide

2-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-fluorobenzamide (PubChem CID 42273465) has the molecular formula C20H22Cl2FN3O and a molecular weight of 410.32 g/mol. Its IUPAC name is 2-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-fluorobenzamide
PubChem CID42273465
Molecular FormulaC20H22Cl2FN3O
Molecular Weight410.32 g/mol
Exact Mass409.11
IUPAC Name2-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-fluorobenzamide
SMILESO=C(NCCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1Cl
InChIInChI=1S/C20H22Cl2FN3O/c21-15-2-5-17(6-3-15)26-12-10-25(11-13-26)9-1-8-24-20(27)18-7-4-16(23)14-19(18)22/h2-7,14H,1,8-13H2,(H,24,27)
InChIKeyKPJJZLCOUNIIGC-UHFFFAOYSA-N
XLogP4.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.32
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 42266962
2-chloro-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-nitrobenzamide
CID 42224976
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3,4-difluorobenzamide
CID 42273607
2,4-dichloro-5-fluoro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 33136012
2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224466
3,4-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzamide
CID 42273536
5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide
CID 42273491
N'-(3-chloro-4-fluorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389821
2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 43600269
4-chloro-N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-4-oxobutyl]benzamide
CID 34989376
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-fluorophenyl)acetamide
CID 42266990
4-ethyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224820

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-fluorobenzamide (CID 42273465) is 2-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-fluorobenzamide is O=C(NCCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-fluorobenzamide?
The InChIKey is KPJJZLCOUNIIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2FN3O/c21-15-2-5-17(6-3-15)26-12-10-25(11-13-26)9-1-8-24-20(27)18-7-4-16(23)14-19(18)22/h2-7,14H,1,8-13H2,(H,24,27).
What are the key properties of 2-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-fluorobenzamide?
2-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-fluorobenzamide has a molecular weight of 410.32 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-fluorobenzamide is sourced from PubChem (CID 42273465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).