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

C32H31F2N3O2 — CID 175165866

IUPACN-[4-[3-[2-(2-cyclopropylphenyl)ethoxy]pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide
SMILESCCC(F)(F)c1ccc(CC(=O)Nc2ccc(-c3nccnc3OCCc3ccccc3C3CC3)cc2)cc1
InChIInChI=1S/C32H31F2N3O2/c1-2-32(33,34)26-13-7-22(8-14-26)21-29(38)37-27-15-11-25(12-16-27)30-31(36-19-18-35-30)39-20-17-23-5-3-4-6-28(23)24-9-10-24/h3-8,11-16,18-19,24H,2,9-10,17,20-21H2,1H3,(H,37,38)
InChIKeyDNYZGNWZYUJMAD-UHFFFAOYSA-N
MW527.62 g/mol
LogP7.33
Rot. Bonds11

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

N-[4-[3-[2-(2-cyclopropylphenyl)ethoxy]pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide (PubChem CID 175165866) has the molecular formula C32H31F2N3O2 and a molecular weight of 527.62 g/mol. Its IUPAC name is N-[4-[3-[2-(2-cyclopropylphenyl)ethoxy]pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[2-(2-cyclopropylphenyl)ethoxy]pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide
PubChem CID175165866
Molecular FormulaC32H31F2N3O2
Molecular Weight527.62 g/mol
Exact Mass527.24
IUPAC NameN-[4-[3-[2-(2-cyclopropylphenyl)ethoxy]pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide
SMILESCCC(F)(F)c1ccc(CC(=O)Nc2ccc(-c3nccnc3OCCc3ccccc3C3CC3)cc2)cc1
InChIInChI=1S/C32H31F2N3O2/c1-2-32(33,34)26-13-7-22(8-14-26)21-29(38)37-27-15-11-25(12-16-27)30-31(36-19-18-35-30)39-20-17-23-5-3-4-6-28(23)24-9-10-24/h3-8,11-16,18-19,24H,2,9-10,17,20-21H2,1H3,(H,37,38)
InChIKeyDNYZGNWZYUJMAD-UHFFFAOYSA-N
XLogP7.33
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.62
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1,1-difluoropropyl)phenyl]-N-[4-[3-(2-ethylphenyl)pyrazin-2-yl]phenyl]acetamide
CID 138751961
N-[4-[3-(2-chlorophenyl)pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide
CID 126530751
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-[[(1S)-1-(4-chlorophenyl)ethyl]-methylamino]pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide
CID 130297341
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-[4-[3-[1-(2-chloro-4-fluorophenyl)ethylamino]pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide
CID 130297546
1-[4-[3-(4-chlorophenyl)pyrazin-2-yl]phenyl]-3-[4-(1,1-difluoropropyl)phenyl]propan-2-one
CID 148544424
1-[4-(1,1-difluoropropyl)phenyl]-3-[4-[3-[(2-hydroxy-1-phenylethyl)amino]pyrazin-2-yl]phenyl]propan-2-one
CID 152832065
2-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]-N-[4-[3-[1-(2,4-dimethylphenyl)ethoxy]pyrazin-2-yl]phenyl]acetamide
CID 146440999
4-[3-(2-ethylphenyl)pyrazin-2-yl]-N-[(Z)-1-[4-(2-fluorobutan-2-yl)phenyl]pent-2-en-2-yl]aniline
CID 145242107
N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[2-(2-cyclopropylphenyl)ethoxy]pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide?
The IUPAC name of N-[4-[3-[2-(2-cyclopropylphenyl)ethoxy]pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide (CID 175165866) is N-[4-[3-[2-(2-cyclopropylphenyl)ethoxy]pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[2-(2-cyclopropylphenyl)ethoxy]pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide?
The canonical SMILES for N-[4-[3-[2-(2-cyclopropylphenyl)ethoxy]pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide is CCC(F)(F)c1ccc(CC(=O)Nc2ccc(-c3nccnc3OCCc3ccccc3C3CC3)cc2)cc1.
What is the InChIKey of N-[4-[3-[2-(2-cyclopropylphenyl)ethoxy]pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide?
The InChIKey is DNYZGNWZYUJMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F2N3O2/c1-2-32(33,34)26-13-7-22(8-14-26)21-29(38)37-27-15-11-25(12-16-27)30-31(36-19-18-35-30)39-20-17-23-5-3-4-6-28(23)24-9-10-24/h3-8,11-16,18-19,24H,2,9-10,17,20-21H2,1H3,(H,37,38).
What are the key properties of N-[4-[3-[2-(2-cyclopropylphenyl)ethoxy]pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide?
N-[4-[3-[2-(2-cyclopropylphenyl)ethoxy]pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide has a molecular weight of 527.62 g/mol, XLogP of 7.33, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[2-(2-cyclopropylphenyl)ethoxy]pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide is sourced from PubChem (CID 175165866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).