N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C14H12Cl2F3N3O — CID 55328818

IUPACN-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H12Cl2F3N3O/c1-21(7-9-3-2-4-10(15)13(9)16)12(23)8-22-6-5-11(20-22)14(17,18)19/h2-6H,7-8H2,1H3
InChIKeyCTDIGEUVWIDKIL-UHFFFAOYSA-N
MW366.17 g/mol
LogP3.87
Rot. Bonds4

About N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 55328818) has the molecular formula C14H12Cl2F3N3O and a molecular weight of 366.17 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID55328818
Molecular FormulaC14H12Cl2F3N3O
Molecular Weight366.17 g/mol
Exact Mass365.03
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H12Cl2F3N3O/c1-21(7-9-3-2-4-10(15)13(9)16)12(23)8-22-6-5-11(20-22)14(17,18)19/h2-6H,7-8H2,1H3
InChIKeyCTDIGEUVWIDKIL-UHFFFAOYSA-N
XLogP3.87
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.17
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-1,2,4-triazol-1-yl)-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide
CID 61113902
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 79291704
N-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 115593407
(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896
N-[(2,3-dichlorophenyl)methyl]-N-methylimidazole-1-carboxamide
CID 112722736
N-[(2,3-dichlorophenyl)methyl]-2,2-difluoro-N-methylacetamide
CID 103600531
N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
N-benzyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 134028338
N,N-bis(furan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 55541052
N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide
CID 29415782
2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2809216
2-[(2,3-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 65060982

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 55328818) is N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CN(Cc1cccc(Cl)c1Cl)C(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is CTDIGEUVWIDKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2F3N3O/c1-21(7-9-3-2-4-10(15)13(9)16)12(23)8-22-6-5-11(20-22)14(17,18)19/h2-6H,7-8H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 366.17 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 55328818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).