5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide

C19H21ClFN3O — CID 38756062

IUPAC5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)c1cc(Cl)ccc1F
InChIInChI=1S/C19H21ClFN3O/c20-15-6-7-18(21)17(14-15)19(25)22-8-9-23-10-12-24(13-11-23)16-4-2-1-3-5-16/h1-7,14H,8-13H2,(H,22,25)
InChIKeyURVSORAIXSMHBT-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.03
Rot. Bonds5

About 5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide

5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide (PubChem CID 38756062) has the molecular formula C19H21ClFN3O and a molecular weight of 361.85 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
PubChem CID38756062
Molecular FormulaC19H21ClFN3O
Molecular Weight361.85 g/mol
Exact Mass361.14
IUPAC Name5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)c1cc(Cl)ccc1F
InChIInChI=1S/C19H21ClFN3O/c20-15-6-7-18(21)17(14-15)19(25)22-8-9-23-10-12-24(13-11-23)16-4-2-1-3-5-16/h1-7,14H,8-13H2,(H,22,25)
InChIKeyURVSORAIXSMHBT-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

2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224466
2,4-dichloro-5-fluoro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 33136012
5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224442
2-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 42266128
2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 42266962
N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-bromo-2-fluorobenzamide
CID 39301758
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-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266927
2-chloro-11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,1-b]quinazoline-6-carboxamide
CID 3243133
2-hydroxy-5-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 46602004
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide (CID 38756062) is 5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide is O=C(NCCN1CCN(c2ccccc2)CC1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is URVSORAIXSMHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O/c20-15-6-7-18(21)17(14-15)19(25)22-8-9-23-10-12-24(13-11-23)16-4-2-1-3-5-16/h1-7,14H,8-13H2,(H,22,25).
What are the key properties of 5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide?
5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-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 5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 38756062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).