2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide

C14H14BrF3N4O — CID 86913452

IUPAC2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CNc2ccc(Br)c(C(F)(F)F)c2)n(C)n1
InChIInChI=1S/C14H14BrF3N4O/c1-8-5-12(22(2)21-8)20-13(23)7-19-9-3-4-11(15)10(6-9)14(16,17)18/h3-6,19H,7H2,1-2H3,(H,20,23)
InChIKeyZDLBWRFGWFCFEP-UHFFFAOYSA-N
MW391.19 g/mol
LogP3.56
Rot. Bonds4

About 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide

2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 86913452) has the molecular formula C14H14BrF3N4O and a molecular weight of 391.19 g/mol. Its IUPAC name is 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
PubChem CID86913452
Molecular FormulaC14H14BrF3N4O
Molecular Weight391.19 g/mol
Exact Mass390.03
IUPAC Name2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CNc2ccc(Br)c(C(F)(F)F)c2)n(C)n1
InChIInChI=1S/C14H14BrF3N4O/c1-8-5-12(22(2)21-8)20-13(23)7-19-9-3-4-11(15)10(6-9)14(16,17)18/h3-6,19H,7H2,1-2H3,(H,20,23)
InChIKeyZDLBWRFGWFCFEP-UHFFFAOYSA-N
XLogP3.56
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.19
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2-(4-ethylanilino)acetamide
CID 86913432
2-[4-bromo-3-(trifluoromethyl)anilino]-N-(4-cyanophenyl)acetamide
CID 9104278
2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide
CID 7922871
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957929
N-[3-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]phenyl]butanamide
CID 71922693
2-[4-bromo-3-(trifluoromethyl)anilino]-N-(3-cyanophenyl)acetamide
CID 7922867
4-bromo-N-(2,5-dimethylpyrazol-3-yl)-2-(trifluoromethyl)benzamide
CID 103924603
N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)acetamide
CID 60703413
tert-butyl N-[2-[4-bromo-3-(trifluoromethyl)anilino]-2-oxoethyl]carbamate
CID 60596349
2-[4-bromo-3-(trifluoromethyl)anilino]-N-methyl-N-propan-2-ylacetamide
CID 60690595
N-[2-[4-bromo-3-(trifluoromethyl)anilino]ethyl]acetamide
CID 103604165
2-(4-bromo-3-methylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109009815

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide (CID 86913452) is 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)CNc2ccc(Br)c(C(F)(F)F)c2)n(C)n1.
What is the InChIKey of 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is ZDLBWRFGWFCFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF3N4O/c1-8-5-12(22(2)21-8)20-13(23)7-19-9-3-4-11(15)10(6-9)14(16,17)18/h3-6,19H,7H2,1-2H3,(H,20,23).
What are the key properties of 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 391.19 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 86913452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).