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

C19H20Cl2FN3O — CID 42266962

IUPAC2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
SMILESO=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1Cl
InChIInChI=1S/C19H20Cl2FN3O/c20-14-1-4-16(5-2-14)25-11-9-24(10-12-25)8-7-23-19(26)17-6-3-15(22)13-18(17)21/h1-6,13H,7-12H2,(H,23,26)
InChIKeyLHEROBRZNWLDKZ-UHFFFAOYSA-N
MW396.29 g/mol
LogP3.68
Rot. Bonds5

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

2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide (PubChem CID 42266962) has the molecular formula C19H20Cl2FN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is 2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
PubChem CID42266962
Molecular FormulaC19H20Cl2FN3O
Molecular Weight396.29 g/mol
Exact Mass395.10
IUPAC Name2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
SMILESO=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1Cl
InChIInChI=1S/C19H20Cl2FN3O/c20-14-1-4-16(5-2-14)25-11-9-24(10-12-25)8-7-23-19(26)17-6-3-15(22)13-18(17)21/h1-6,13H,7-12H2,(H,23,26)
InChIKeyLHEROBRZNWLDKZ-UHFFFAOYSA-N
XLogP3.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-fluorobenzamide
CID 42273465
2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 43600269
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-fluorophenyl)acetamide
CID 42266990
5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38756062
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266927
2-chloro-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-nitrobenzamide
CID 42224976
3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266643
2,4-dichloro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885246
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]-3,5-dimethylbenzamide
CID 42267000
2-chloro-4-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide
CID 21428852
2-amino-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 119947503

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide (CID 42266962) is 2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide is O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide?
The InChIKey is LHEROBRZNWLDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2FN3O/c20-14-1-4-16(5-2-14)25-11-9-24(10-12-25)8-7-23-19(26)17-6-3-15(22)13-18(17)21/h1-6,13H,7-12H2,(H,23,26).
What are the key properties of 2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide?
2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide has a molecular weight of 396.29 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide is sourced from PubChem (CID 42266962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).