N'-(3H-benzimidazol-5-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide

C16H10ClF3N4O2 — CID 108515847

IUPACN'-(3H-benzimidazol-5-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C16H10ClF3N4O2/c17-11-3-1-8(5-10(11)16(18,19)20)23-14(25)15(26)24-9-2-4-12-13(6-9)22-7-21-12/h1-7H,(H,21,22)(H,23,25)(H,24,26)
InChIKeyXWAJTUQYTBFYGV-UHFFFAOYSA-N
MW382.73 g/mol
LogP3.81
Rot. Bonds2

About N'-(3H-benzimidazol-5-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide

N'-(3H-benzimidazol-5-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide (PubChem CID 108515847) has the molecular formula C16H10ClF3N4O2 and a molecular weight of 382.73 g/mol. Its IUPAC name is N'-(3H-benzimidazol-5-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-(3H-benzimidazol-5-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
PubChem CID108515847
Molecular FormulaC16H10ClF3N4O2
Molecular Weight382.73 g/mol
Exact Mass382.04
IUPAC NameN'-(3H-benzimidazol-5-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C16H10ClF3N4O2/c17-11-3-1-8(5-10(11)16(18,19)20)23-14(25)15(26)24-9-2-4-12-13(6-9)22-7-21-12/h1-7H,(H,21,22)(H,23,25)(H,24,26)
InChIKeyXWAJTUQYTBFYGV-UHFFFAOYSA-N
XLogP3.81
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.73
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3H-benzimidazol-5-yl)carbamoyl chloride
CID 115194411
1-(3H-benzimidazol-5-yl)-3-(3-chloro-4-fluorophenyl)urea
CID 108885972
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-pyridin-2-yloxamide
CID 108515817
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-cyclohexyloxamide
CID 108504354
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)oxamide
CID 11476057
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(2-fluorophenyl)oxamide
CID 108515782
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108515794
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(3-nitrophenyl)oxamide
CID 108513261
1-amino-3-(3H-benzimidazol-5-yl)urea
CID 115192411
N-(3H-benzimidazol-5-yl)-2-cyano-2-methylpropanamide
CID 115174966
N'-benzhydryl-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108507995
N'-(4-chloro-2-methylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108515804

Frequently Asked Questions

What is the IUPAC name of N'-(3H-benzimidazol-5-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N'-(3H-benzimidazol-5-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide (CID 108515847) is N'-(3H-benzimidazol-5-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N'-(3H-benzimidazol-5-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N'-(3H-benzimidazol-5-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1ccc2nc[nH]c2c1.
What is the InChIKey of N'-(3H-benzimidazol-5-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is XWAJTUQYTBFYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N4O2/c17-11-3-1-8(5-10(11)16(18,19)20)23-14(25)15(26)24-9-2-4-12-13(6-9)22-7-21-12/h1-7H,(H,21,22)(H,23,25)(H,24,26).
What are the key properties of N'-(3H-benzimidazol-5-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide?
N'-(3H-benzimidazol-5-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 382.73 g/mol, XLogP of 3.81, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3H-benzimidazol-5-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 108515847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).