N-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]acetamide

C23H22ClFN4O2 — CID 166166170

IUPACN-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(F)cc(-c3ccnc(N4CCNCC4)c3)c2O)cc1Cl
InChIInChI=1S/C23H22ClFN4O2/c1-14(30)28-21-3-2-15(10-20(21)24)18-12-17(25)13-19(23(18)31)16-4-5-27-22(11-16)29-8-6-26-7-9-29/h2-5,10-13,26,31H,6-9H2,1H3,(H,28,30)
InChIKeyPNRQYGCRRGNJOM-UHFFFAOYSA-N
MW440.91 g/mol
LogP4.28
Rot. Bonds4

About N-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]acetamide

N-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]acetamide (PubChem CID 166166170) has the molecular formula C23H22ClFN4O2 and a molecular weight of 440.91 g/mol. Its IUPAC name is N-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]acetamide
PubChem CID166166170
Molecular FormulaC23H22ClFN4O2
Molecular Weight440.91 g/mol
Exact Mass440.14
IUPAC NameN-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(F)cc(-c3ccnc(N4CCNCC4)c3)c2O)cc1Cl
InChIInChI=1S/C23H22ClFN4O2/c1-14(30)28-21-3-2-15(10-20(21)24)18-12-17(25)13-19(23(18)31)16-4-5-27-22(11-16)29-8-6-26-7-9-29/h2-5,10-13,26,31H,6-9H2,1H3,(H,28,30)
InChIKeyPNRQYGCRRGNJOM-UHFFFAOYSA-N
XLogP4.28
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]-N-[2-(dimethylamino)hydrazinyl]formamide
CID 166167435
3-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]-1,3-oxazol-2-one
CID 166165771
N-[2-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]-N-methylanilino]ethyl]-N-methylformamide
CID 174260940
(4S)-3-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]-4-methoxy-1,3-oxazolidin-2-one
CID 166166671
N-[4-[3-[3-chloro-4-(3-methyl-2-oxoimidazol-1-yl)phenyl]-5-fluoro-2-hydroxyphenyl]-6-piperazin-1-yl-2-pyridinyl]acetamide
CID 166165838
N-[4-[3-(2-chloro-6-piperazin-1-yl-4-pyridinyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide
CID 166165946
N-[2-fluoro-4-[3-(2-fluoro-6-piperazin-1-yl-4-pyridinyl)-2-hydroxyphenyl]phenyl]acetamide
CID 166167141
N-[4-[3-[5-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]acetamide
CID 167333397
1-[2-fluoro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]piperidin-2-one
CID 166166725
N-[2-fluoro-4-[2-hydroxy-3-(4-piperazin-1-yl-2-pyridinyl)phenyl]phenyl]acetamide
CID 166165621
N-[1-[4-[3-[3-chloro-4-(3-methyl-2-oxoimidazol-1-yl)phenyl]-5-fluoro-2-hydroxyphenyl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]acetamide
CID 166166603
1-[2-chloro-4-[5-chloro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyrrolidin-2-one
CID 166165564

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]acetamide (CID 166166170) is N-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cc(F)cc(-c3ccnc(N4CCNCC4)c3)c2O)cc1Cl.
What is the InChIKey of N-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]acetamide?
The InChIKey is PNRQYGCRRGNJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN4O2/c1-14(30)28-21-3-2-15(10-20(21)24)18-12-17(25)13-19(23(18)31)16-4-5-27-22(11-16)29-8-6-26-7-9-29/h2-5,10-13,26,31H,6-9H2,1H3,(H,28,30).
What are the key properties of N-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]acetamide?
N-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]acetamide has a molecular weight of 440.91 g/mol, XLogP of 4.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]acetamide is sourced from PubChem (CID 166166170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).