N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1-methylpyrazol-4-yl)acetamide

C14H13ClF3N3O2 — CID 56790130

IUPACN-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(CC(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)cn1
InChIInChI=1S/C14H13ClF3N3O2/c1-21-7-9(6-19-21)4-13(22)20-11-3-2-10(15)5-12(11)23-8-14(16,17)18/h2-3,5-7H,4,8H2,1H3,(H,20,22)
InChIKeyBADLXVRZDWVLRT-UHFFFAOYSA-N
MW347.72 g/mol
LogP3.20
Rot. Bonds5

About N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1-methylpyrazol-4-yl)acetamide

N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 56790130) has the molecular formula C14H13ClF3N3O2 and a molecular weight of 347.72 g/mol. Its IUPAC name is N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID56790130
Molecular FormulaC14H13ClF3N3O2
Molecular Weight347.72 g/mol
Exact Mass347.06
IUPAC NameN-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(CC(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)cn1
InChIInChI=1S/C14H13ClF3N3O2/c1-21-7-9(6-19-21)4-13(22)20-11-3-2-10(15)5-12(11)23-8-14(16,17)18/h2-3,5-7H,4,8H2,1H3,(H,20,22)
InChIKeyBADLXVRZDWVLRT-UHFFFAOYSA-N
XLogP3.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.72
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 119324701
N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119785490
N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 122132583
N-(2,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35591649
4-[[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673647
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 46597453
1-(4-chloro-2-ethoxyphenyl)-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 97101111
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methylphenyl)acetamide
CID 30473976
N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 56790133
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(4-sulfamoylphenyl)acetamide
CID 56540594
3-amino-N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide
CID 119785468
4-amino-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 119302270

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1-methylpyrazol-4-yl)acetamide (CID 56790130) is N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1-methylpyrazol-4-yl)acetamide is Cn1cc(CC(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)cn1.
What is the InChIKey of N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is BADLXVRZDWVLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3O2/c1-21-7-9(6-19-21)4-13(22)20-11-3-2-10(15)5-12(11)23-8-14(16,17)18/h2-3,5-7H,4,8H2,1H3,(H,20,22).
What are the key properties of N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1-methylpyrazol-4-yl)acetamide?
N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 347.72 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 56790130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).