N-(2-bromophenyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]acetamide

C18H14BrF3N4O2 — CID 26622776

IUPACN-(2-bromophenyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]acetamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C18H14BrF3N4O2/c19-11-5-1-2-6-12(11)24-15(27)9-23-16(28)10-26-14-8-4-3-7-13(14)25-17(26)18(20,21)22/h1-8H,9-10H2,(H,23,28)(H,24,27)
InChIKeyBFVIFHKYWSQGKK-UHFFFAOYSA-N
MW455.23 g/mol
LogP3.57
Rot. Bonds5

About N-(2-bromophenyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]acetamide

N-(2-bromophenyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]acetamide (PubChem CID 26622776) has the molecular formula C18H14BrF3N4O2 and a molecular weight of 455.23 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]acetamide
PubChem CID26622776
Molecular FormulaC18H14BrF3N4O2
Molecular Weight455.23 g/mol
Exact Mass454.03
IUPAC NameN-(2-bromophenyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]acetamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C18H14BrF3N4O2/c19-11-5-1-2-6-12(11)24-15(27)9-23-16(28)10-26-14-8-4-3-7-13(14)25-17(26)18(20,21)22/h1-8H,9-10H2,(H,23,28)(H,24,27)
InChIKeyBFVIFHKYWSQGKK-UHFFFAOYSA-N
XLogP3.57
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.23
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]acetamide
CID 18163659
N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 40723417
N-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4669088
N-(2-fluoro-5-methylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 40723406
N-(9,10-dioxoanthracen-1-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 39045058
4-chloro-N-[2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]phenyl]benzamide
CID 31965173
N-(4-oxo-1H-pyridin-3-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 51114324
N-(2-phenylethyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzamide
CID 30279791
N-(3-phenylpropyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 27647017
N-(pyridin-2-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 40655464
N-(2-morpholin-4-ylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4878936
N-[2-(piperidine-1-carbonyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 35275235

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]acetamide (CID 26622776) is N-(2-bromophenyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]acetamide is O=C(Cn1c(C(F)(F)F)nc2ccccc21)NCC(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]acetamide?
The InChIKey is BFVIFHKYWSQGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrF3N4O2/c19-11-5-1-2-6-12(11)24-15(27)9-23-16(28)10-26-14-8-4-3-7-13(14)25-17(26)18(20,21)22/h1-8H,9-10H2,(H,23,28)(H,24,27).
What are the key properties of N-(2-bromophenyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]acetamide?
N-(2-bromophenyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]acetamide has a molecular weight of 455.23 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]acetamide is sourced from PubChem (CID 26622776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).