N-[4-[3-(2-chlorophenyl)pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide

C27H22ClF2N3O — CID 126530751

IUPACN-[4-[3-(2-chlorophenyl)pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide
SMILESCCC(F)(F)c1ccc(CC(=O)Nc2ccc(-c3nccnc3-c3ccccc3Cl)cc2)cc1
InChIInChI=1S/C27H22ClF2N3O/c1-2-27(29,30)20-11-7-18(8-12-20)17-24(34)33-21-13-9-19(10-14-21)25-26(32-16-15-31-25)22-5-3-4-6-23(22)28/h3-16H,2,17H2,1H3,(H,33,34)
InChIKeyCBNBWIUPTIDEIS-UHFFFAOYSA-N
MW477.94 g/mol
LogP7.15
Rot. Bonds7

About N-[4-[3-(2-chlorophenyl)pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide

N-[4-[3-(2-chlorophenyl)pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide (PubChem CID 126530751) has the molecular formula C27H22ClF2N3O and a molecular weight of 477.94 g/mol. Its IUPAC name is N-[4-[3-(2-chlorophenyl)pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(2-chlorophenyl)pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide
PubChem CID126530751
Molecular FormulaC27H22ClF2N3O
Molecular Weight477.94 g/mol
Exact Mass477.14
IUPAC NameN-[4-[3-(2-chlorophenyl)pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide
SMILESCCC(F)(F)c1ccc(CC(=O)Nc2ccc(-c3nccnc3-c3ccccc3Cl)cc2)cc1
InChIInChI=1S/C27H22ClF2N3O/c1-2-27(29,30)20-11-7-18(8-12-20)17-24(34)33-21-13-9-19(10-14-21)25-26(32-16-15-31-25)22-5-3-4-6-23(22)28/h3-16H,2,17H2,1H3,(H,33,34)
InChIKeyCBNBWIUPTIDEIS-UHFFFAOYSA-N
XLogP7.15
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.94
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1,1-difluoropropyl)phenyl]-N-[4-[3-(2-ethylphenyl)pyrazin-2-yl]phenyl]acetamide
CID 138751961
1-[4-[3-(4-chlorophenyl)pyrazin-2-yl]phenyl]-3-[4-(1,1-difluoropropyl)phenyl]propan-2-one
CID 148544424
N-[4-[3-[1-(2-chloro-4-fluorophenyl)ethylamino]pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide
CID 130297546
N-[4-[3-[[(1S)-1-(4-chlorophenyl)ethyl]-methylamino]pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide
CID 130297341
2-[4-(1,1-difluoropropyl)phenyl]-N-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrazin-2-yl]phenyl]acetamide
CID 135306440
N-[4-[3-[2-(2-cyclopropylphenyl)ethoxy]pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide
CID 175165866
N-[4-[3-[1-(2-chlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]acetamide
CID 146440995
N-[4-[3-[(1R)-1-(2-chlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]acetamide
CID 126529122
N-[2-[4-[3-(2-chlorophenyl)-2-pyridinyl]phenyl]-4-(1,1-difluoropropyl)phenyl]acetamide
CID 140804572
4-[3-(2-ethylphenyl)pyrazin-2-yl]-N-[(Z)-1-[4-(2-fluorobutan-2-yl)phenyl]pent-2-en-2-yl]aniline
CID 145242107
1-[4-(1,1-difluoropropyl)phenyl]-3-[4-[3-[(2-hydroxy-1-phenylethyl)amino]pyrazin-2-yl]phenyl]propan-2-one
CID 152832065
N-[4-(2-chlorophenyl)phenyl]-2-hydroxyacetamide
CID 54430946

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-chlorophenyl)pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide?
The IUPAC name of N-[4-[3-(2-chlorophenyl)pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide (CID 126530751) is N-[4-[3-(2-chlorophenyl)pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(2-chlorophenyl)pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide?
The canonical SMILES for N-[4-[3-(2-chlorophenyl)pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide is CCC(F)(F)c1ccc(CC(=O)Nc2ccc(-c3nccnc3-c3ccccc3Cl)cc2)cc1.
What is the InChIKey of N-[4-[3-(2-chlorophenyl)pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide?
The InChIKey is CBNBWIUPTIDEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClF2N3O/c1-2-27(29,30)20-11-7-18(8-12-20)17-24(34)33-21-13-9-19(10-14-21)25-26(32-16-15-31-25)22-5-3-4-6-23(22)28/h3-16H,2,17H2,1H3,(H,33,34).
What are the key properties of N-[4-[3-(2-chlorophenyl)pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide?
N-[4-[3-(2-chlorophenyl)pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide has a molecular weight of 477.94 g/mol, XLogP of 7.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-chlorophenyl)pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide is sourced from PubChem (CID 126530751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).