N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide

C16H11ClF3N3O2 — CID 113195277

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(=O)[nH]c2ccccc21)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H11ClF3N3O2/c17-10-6-5-9(16(18,19)20)7-12(10)21-14(24)8-23-13-4-2-1-3-11(13)22-15(23)25/h1-7H,8H2,(H,21,24)(H,22,25)
InChIKeyZILASXCFOACPFP-UHFFFAOYSA-N
MW369.73 g/mol
LogP3.64
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide (PubChem CID 113195277) has the molecular formula C16H11ClF3N3O2 and a molecular weight of 369.73 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
PubChem CID113195277
Molecular FormulaC16H11ClF3N3O2
Molecular Weight369.73 g/mol
Exact Mass369.05
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(=O)[nH]c2ccccc21)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H11ClF3N3O2/c17-10-6-5-9(16(18,19)20)7-12(10)21-14(24)8-23-13-4-2-1-3-11(13)22-15(23)25/h1-7H,8H2,(H,21,24)(H,22,25)
InChIKeyZILASXCFOACPFP-UHFFFAOYSA-N
XLogP3.64
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.73
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195248
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethyl-2-iminobenzimidazol-1-yl)acetamide
CID 129348181
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 118717390
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1453375
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2099437
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110689931
2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113195462
N-(3-chloro-4-methoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 86997374
2-(azepan-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 722242
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-phenylacetamide
CID 113000074
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2,4-dioxo-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 16952025

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide (CID 113195277) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide is O=C(Cn1c(=O)[nH]c2ccccc21)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The InChIKey is ZILASXCFOACPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3O2/c17-10-6-5-9(16(18,19)20)7-12(10)21-14(24)8-23-13-4-2-1-3-11(13)22-15(23)25/h1-7H,8H2,(H,21,24)(H,22,25).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide has a molecular weight of 369.73 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide is sourced from PubChem (CID 113195277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).