3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide

C19H21ClFN3O — CID 42266643

IUPAC3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClFN3O/c20-16-3-1-2-15(14-16)19(25)22-8-9-23-10-12-24(13-11-23)18-6-4-17(21)5-7-18/h1-7,14H,8-13H2,(H,22,25)
InChIKeyDAVCGKAMERVIEL-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.03
Rot. Bonds5

About 3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide

3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide (PubChem CID 42266643) has the molecular formula C19H21ClFN3O and a molecular weight of 361.85 g/mol. Its IUPAC name is 3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
PubChem CID42266643
Molecular FormulaC19H21ClFN3O
Molecular Weight361.85 g/mol
Exact Mass361.14
IUPAC Name3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClFN3O/c20-16-3-1-2-15(14-16)19(25)22-8-9-23-10-12-24(13-11-23)18-6-4-17(21)5-7-18/h1-7,14H,8-13H2,(H,22,25)
InChIKeyDAVCGKAMERVIEL-UHFFFAOYSA-N
XLogP3.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide
CID 42266695
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266927
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
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide
CID 42266552
2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 42266962
5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38756062
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3,4-difluorobenzamide
CID 42273607
3-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 24737765

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide (CID 42266643) is 3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide is O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is DAVCGKAMERVIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O/c20-16-3-1-2-15(14-16)19(25)22-8-9-23-10-12-24(13-11-23)18-6-4-17(21)5-7-18/h1-7,14H,8-13H2,(H,22,25).
What are the key properties of 3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide?
3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide has a molecular weight of 361.85 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 42266643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).