2-[4-bromo-3-(trifluoromethyl)anilino]-N-(3-cyanophenyl)acetamide

C16H11BrF3N3O — CID 7922867

IUPAC2-[4-bromo-3-(trifluoromethyl)anilino]-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)CNc2ccc(Br)c(C(F)(F)F)c2)c1
InChIInChI=1S/C16H11BrF3N3O/c17-14-5-4-11(7-13(14)16(18,19)20)22-9-15(24)23-12-3-1-2-10(6-12)8-21/h1-7,22H,9H2,(H,23,24)
InChIKeyDCCYVFULEFEJLA-UHFFFAOYSA-N
MW398.18 g/mol
LogP4.39
Rot. Bonds4

About 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(3-cyanophenyl)acetamide

2-[4-bromo-3-(trifluoromethyl)anilino]-N-(3-cyanophenyl)acetamide (PubChem CID 7922867) has the molecular formula C16H11BrF3N3O and a molecular weight of 398.18 g/mol. Its IUPAC name is 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[4-bromo-3-(trifluoromethyl)anilino]-N-(3-cyanophenyl)acetamide
PubChem CID7922867
Molecular FormulaC16H11BrF3N3O
Molecular Weight398.18 g/mol
Exact Mass397.00
IUPAC Name2-[4-bromo-3-(trifluoromethyl)anilino]-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)CNc2ccc(Br)c(C(F)(F)F)c2)c1
InChIInChI=1S/C16H11BrF3N3O/c17-14-5-4-11(7-13(14)16(18,19)20)22-9-15(24)23-12-3-1-2-10(6-12)8-21/h1-7,22H,9H2,(H,23,24)
InChIKeyDCCYVFULEFEJLA-UHFFFAOYSA-N
XLogP4.39
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.18
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-3-(trifluoromethyl)anilino]-N-(4-cyanophenyl)acetamide
CID 9104278
2-(3-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide
CID 26438593
2-(3-cyanoanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9101406
N-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)acetamide
CID 9100025
2-(3-cyanoanilino)-N-(4-iodophenyl)acetamide
CID 9101293
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-cyanoacetamide
CID 64854761
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957929
2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide
CID 7922871
N-(3-bromophenyl)-2-(4-cyanoanilino)acetamide
CID 26437461
tert-butyl N-[2-[4-bromo-3-(trifluoromethyl)anilino]-2-oxoethyl]carbamate
CID 60596349
N-(3-cyanophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109011066
2-(4-chloro-3-nitroanilino)-N-(3-cyanophenyl)acetamide
CID 4849504

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(3-cyanophenyl)acetamide (CID 7922867) is 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(3-cyanophenyl)acetamide is N#Cc1cccc(NC(=O)CNc2ccc(Br)c(C(F)(F)F)c2)c1.
What is the InChIKey of 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(3-cyanophenyl)acetamide?
The InChIKey is DCCYVFULEFEJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF3N3O/c17-14-5-4-11(7-13(14)16(18,19)20)22-9-15(24)23-12-3-1-2-10(6-12)8-21/h1-7,22H,9H2,(H,23,24).
What are the key properties of 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(3-cyanophenyl)acetamide?
2-[4-bromo-3-(trifluoromethyl)anilino]-N-(3-cyanophenyl)acetamide has a molecular weight of 398.18 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 7922867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).