2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide

C22H20Cl2F2N4O2 — CID 55790839

IUPAC2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
SMILESCNC(=O)C(NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C)c1ccc(F)c(F)c1
InChIInChI=1S/C22H20Cl2F2N4O2/c1-11-15(12(2)30(29-11)19-7-5-14(23)9-16(19)24)10-20(31)28-21(22(32)27-3)13-4-6-17(25)18(26)8-13/h4-9,21H,10H2,1-3H3,(H,27,32)(H,28,31)
InChIKeyUPUYRPRGHHBHCR-UHFFFAOYSA-N
MW481.33 g/mol
LogP4.22
Rot. Bonds6

About 2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide

2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide (PubChem CID 55790839) has the molecular formula C22H20Cl2F2N4O2 and a molecular weight of 481.33 g/mol. Its IUPAC name is 2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
PubChem CID55790839
Molecular FormulaC22H20Cl2F2N4O2
Molecular Weight481.33 g/mol
Exact Mass480.09
IUPAC Name2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
SMILESCNC(=O)C(NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C)c1ccc(F)c(F)c1
InChIInChI=1S/C22H20Cl2F2N4O2/c1-11-15(12(2)30(29-11)19-7-5-14(23)9-16(19)24)10-20(31)28-21(22(32)27-3)13-4-6-17(25)18(26)8-13/h4-9,21H,10H2,1-3H3,(H,27,32)(H,28,31)
InChIKeyUPUYRPRGHHBHCR-UHFFFAOYSA-N
XLogP4.22
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.33
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 120506491
2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]acetic acid
CID 119171332
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 134051720
methyl 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 61381135
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-ylacetamide
CID 119390343
N-[1-(3,4-difluorophenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 18200432
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 86998087
5-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]pentanoic acid
CID 119234526
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 60508564
1-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 55502265
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119514667
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 55755549

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide?
The IUPAC name of 2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide (CID 55790839) is 2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide.
What is the SMILES notation for 2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide?
The canonical SMILES for 2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide is CNC(=O)C(NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide?
The InChIKey is UPUYRPRGHHBHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2F2N4O2/c1-11-15(12(2)30(29-11)19-7-5-14(23)9-16(19)24)10-20(31)28-21(22(32)27-3)13-4-6-17(25)18(26)8-13/h4-9,21H,10H2,1-3H3,(H,27,32)(H,28,31).
What are the key properties of 2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide?
2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide has a molecular weight of 481.33 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide is sourced from PubChem (CID 55790839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).