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

C23H21ClFN3O — CID 23857873

IUPAC4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]benzamide
SMILESO=C(Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClFN3O/c24-18-7-5-17(6-8-18)23(29)26-21-3-1-2-4-22(21)28-15-13-27(14-16-28)20-11-9-19(25)10-12-20/h1-12H,13-16H2,(H,26,29)
InChIKeyJWRJALRXNOJNEG-UHFFFAOYSA-N
MW409.89 g/mol
LogP5.06
Rot. Bonds4

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

4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]benzamide (PubChem CID 23857873) has the molecular formula C23H21ClFN3O and a molecular weight of 409.89 g/mol. Its IUPAC name is 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]benzamide
PubChem CID23857873
Molecular FormulaC23H21ClFN3O
Molecular Weight409.89 g/mol
Exact Mass409.14
IUPAC Name4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]benzamide
SMILESO=C(Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClFN3O/c24-18-7-5-17(6-8-18)23(29)26-21-3-1-2-4-22(21)28-15-13-27(14-16-28)20-11-9-19(25)10-12-20/h1-12H,13-16H2,(H,26,29)
InChIKeyJWRJALRXNOJNEG-UHFFFAOYSA-N
XLogP5.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.89
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
CID 1258048
4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983940
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-ethylbenzamide
CID 2199021
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide
CID 648152
4-chloro-N-[2-[2-(4-fluorophenyl)-2-oxoacetyl]phenyl]benzamide
CID 66575367
(Z)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]-3-phenylprop-2-enamide
CID 20833523
2-[(4-fluorobenzoyl)amino]-5-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid
CID 50782097
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
4-fluoro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400459
3,5-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 16557750
N-(2,4-difluorophenyl)-4-morpholin-4-ylbenzamide
CID 53282259
2,5-difluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 78803357

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]benzamide (CID 23857873) is 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]benzamide is O=C(Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]benzamide?
The InChIKey is JWRJALRXNOJNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN3O/c24-18-7-5-17(6-8-18)23(29)26-21-3-1-2-4-22(21)28-15-13-27(14-16-28)20-11-9-19(25)10-12-20/h1-12H,13-16H2,(H,26,29).
What are the key properties of 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]benzamide?
4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]benzamide has a molecular weight of 409.89 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]benzamide is sourced from PubChem (CID 23857873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).