2-(2,4-dichlorophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

C19H17Cl2N3O2 — CID 2469908

IUPAC2-(2,4-dichlorophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H17Cl2N3O2/c1-12-19(13(2)24(23-12)15-6-4-3-5-7-15)22-18(25)11-26-17-9-8-14(20)10-16(17)21/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeyVBJACVDLBAZNSW-UHFFFAOYSA-N
MW390.27 g/mol
LogP4.81
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

2-(2,4-dichlorophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (PubChem CID 2469908) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
PubChem CID2469908
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC Name2-(2,4-dichlorophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H17Cl2N3O2/c1-12-19(13(2)24(23-12)15-6-4-3-5-7-15)22-18(25)11-26-17-9-8-14(20)10-16(17)21/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeyVBJACVDLBAZNSW-UHFFFAOYSA-N
XLogP4.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 30062265
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7235654
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-chlorobenzoate
CID 7775838
2-(4-chloro-2-fluoroanilino)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 26508445
methyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95749035
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-phenoxyacetamide
CID 42989450
2-(4-tert-butylphenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 24543226
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(5-chloro-2-methylindol-1-yl)acetate
CID 134405616
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(2-methyl-3-nitrophenoxy)acetamide
CID 55867965
2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 26430816
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 78767051
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9334963

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (CID 2469908) is 2-(2,4-dichlorophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The InChIKey is VBJACVDLBAZNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c1-12-19(13(2)24(23-12)15-6-4-3-5-7-15)22-18(25)11-26-17-9-8-14(20)10-16(17)21/h3-10H,11H2,1-2H3,(H,22,25).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
2-(2,4-dichlorophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide has a molecular weight of 390.27 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 2469908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).