N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-piperazin-1-ylethoxy)phenyl]-2,4-difluorobenzamide

C23H24ClF2N5O2 — CID 66928274

IUPACN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-piperazin-1-ylethoxy)phenyl]-2,4-difluorobenzamide
SMILESCn1ncc(Cl)c1-c1cc(NC(=O)c2ccc(F)cc2F)ccc1OCCN1CCNCC1
InChIInChI=1S/C23H24ClF2N5O2/c1-30-22(19(24)14-28-30)18-13-16(29-23(32)17-4-2-15(25)12-20(17)26)3-5-21(18)33-11-10-31-8-6-27-7-9-31/h2-5,12-14,27H,6-11H2,1H3,(H,29,32)
InChIKeyQQSDAEZZPIUEBN-UHFFFAOYSA-N
MW475.93 g/mol
LogP3.56
Rot. Bonds7

About N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-piperazin-1-ylethoxy)phenyl]-2,4-difluorobenzamide

N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-piperazin-1-ylethoxy)phenyl]-2,4-difluorobenzamide (PubChem CID 66928274) has the molecular formula C23H24ClF2N5O2 and a molecular weight of 475.93 g/mol. Its IUPAC name is N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-piperazin-1-ylethoxy)phenyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-piperazin-1-ylethoxy)phenyl]-2,4-difluorobenzamide
PubChem CID66928274
Molecular FormulaC23H24ClF2N5O2
Molecular Weight475.93 g/mol
Exact Mass475.16
IUPAC NameN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-piperazin-1-ylethoxy)phenyl]-2,4-difluorobenzamide
SMILESCn1ncc(Cl)c1-c1cc(NC(=O)c2ccc(F)cc2F)ccc1OCCN1CCNCC1
InChIInChI=1S/C23H24ClF2N5O2/c1-30-22(19(24)14-28-30)18-13-16(29-23(32)17-4-2-15(25)12-20(17)26)3-5-21(18)33-11-10-31-8-6-27-7-9-31/h2-5,12-14,27H,6-11H2,1H3,(H,29,32)
InChIKeyQQSDAEZZPIUEBN-UHFFFAOYSA-N
XLogP3.56
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.93
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-[2-(4-formyl-1,4-diazepan-1-yl)ethoxy]phenyl]-2,4-difluorobenzamide
CID 87207808
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-piperidin-1-ylethoxy)phenyl]acetamide
CID 66927767
1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-[2-(3-hydroxyazetidin-1-yl)ethoxy]phenyl]-3-(2,4-difluorophenyl)urea
CID 66928344
2,4-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]benzamide
CID 46833073
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(4-fluorophenyl)propanamide
CID 66928588
1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(2,6-difluorophenyl)urea
CID 66928601
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(4-chlorophenyl)-2,2-difluoroacetamide
CID 67193233
N-[4-(2-aminoethoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 67265638
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carboxamide
CID 66927790
N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-fluorobenzamide
CID 66928354
1-[4-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]-3-[(4-fluorophenyl)methyl]urea
CID 66928842
1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-[2-(3-hydroxyazetidin-1-yl)ethoxy]phenyl]-3-(4-chlorophenyl)urea
CID 11619867

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-piperazin-1-ylethoxy)phenyl]-2,4-difluorobenzamide?
The IUPAC name of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-piperazin-1-ylethoxy)phenyl]-2,4-difluorobenzamide (CID 66928274) is N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-piperazin-1-ylethoxy)phenyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-piperazin-1-ylethoxy)phenyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-piperazin-1-ylethoxy)phenyl]-2,4-difluorobenzamide is Cn1ncc(Cl)c1-c1cc(NC(=O)c2ccc(F)cc2F)ccc1OCCN1CCNCC1.
What is the InChIKey of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-piperazin-1-ylethoxy)phenyl]-2,4-difluorobenzamide?
The InChIKey is QQSDAEZZPIUEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF2N5O2/c1-30-22(19(24)14-28-30)18-13-16(29-23(32)17-4-2-15(25)12-20(17)26)3-5-21(18)33-11-10-31-8-6-27-7-9-31/h2-5,12-14,27H,6-11H2,1H3,(H,29,32).
What are the key properties of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-piperazin-1-ylethoxy)phenyl]-2,4-difluorobenzamide?
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-piperazin-1-ylethoxy)phenyl]-2,4-difluorobenzamide has a molecular weight of 475.93 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-piperazin-1-ylethoxy)phenyl]-2,4-difluorobenzamide is sourced from PubChem (CID 66928274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).