N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide

C14H11ClF5N3O2 — CID 19521910

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)n(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)n1
InChIInChI=1S/C14H11ClF5N3O2/c1-7-4-11(14(18,19)20)23(22-7)6-12(24)21-8-2-3-10(9(15)5-8)25-13(16)17/h2-5,13H,6H2,1H3,(H,21,24)
InChIKeyAXGHQECGCKKLJU-UHFFFAOYSA-N
MW383.70 g/mol
LogP4.10
Rot. Bonds5

About N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19521910) has the molecular formula C14H11ClF5N3O2 and a molecular weight of 383.70 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19521910
Molecular FormulaC14H11ClF5N3O2
Molecular Weight383.70 g/mol
Exact Mass383.05
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)n(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)n1
InChIInChI=1S/C14H11ClF5N3O2/c1-7-4-11(14(18,19)20)23(22-7)6-12(24)21-8-2-3-10(9(15)5-8)25-13(16)17/h2-5,13H,6H2,1H3,(H,21,24)
InChIKeyAXGHQECGCKKLJU-UHFFFAOYSA-N
XLogP4.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.70
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19522005
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519176
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
CID 19520668
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 19527124
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperazin-1-ylacetamide
CID 61259459
dimethyl 5-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 19521769
N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519269
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 78910804
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 18130867
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19481818
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19530659

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19521910) is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1cc(C(F)(F)F)n(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)n1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is AXGHQECGCKKLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF5N3O2/c1-7-4-11(14(18,19)20)23(22-7)6-12(24)21-8-2-3-10(9(15)5-8)25-13(16)17/h2-5,13H,6H2,1H3,(H,21,24).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 383.70 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19521910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).