4-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]benzamide

C16H12BrF3N2O2 — CID 2579701

IUPAC4-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H12BrF3N2O2/c1-9(23)21-11-4-2-10(3-5-11)15(24)22-12-6-7-14(17)13(8-12)16(18,19)20/h2-8H,1H3,(H,21,23)(H,22,24)
InChIKeyBMSSMXKNMYJJBW-UHFFFAOYSA-N
MW401.18 g/mol
LogP4.68
Rot. Bonds3

About 4-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]benzamide

4-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 2579701) has the molecular formula C16H12BrF3N2O2 and a molecular weight of 401.18 g/mol. Its IUPAC name is 4-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]benzamide
PubChem CID2579701
Molecular FormulaC16H12BrF3N2O2
Molecular Weight401.18 g/mol
Exact Mass400.00
IUPAC Name4-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H12BrF3N2O2/c1-9(23)21-11-4-2-10(3-5-11)15(24)22-12-6-7-14(17)13(8-12)16(18,19)20/h2-8H,1H3,(H,21,23)(H,22,24)
InChIKeyBMSSMXKNMYJJBW-UHFFFAOYSA-N
XLogP4.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.18
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-bromo-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 1095073
4-bromo-N-pyridin-4-yl-3-(trifluoromethyl)benzamide
CID 81449888
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-nitrobenzamide
CID 1309008
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chlorobenzamide
CID 7920374
5-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 26197896
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-(dimethylamino)benzamide
CID 7920385
N-[4-bromo-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide
CID 2421792
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methylbut-2-enamide
CID 42997959
4-[[4-bromo-3-(trifluoromethyl)phenyl]carbamothioylamino]benzamide
CID 18463514
N-[4-amino-3-(trifluoromethyl)phenyl]-4-bromobenzamide
CID 16771044
4,5-dibromo-N-[4-bromo-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 78906787
methyl 2-[4-bromo-3-(trifluoromethyl)anilino]-2-oxoacetate
CID 112617350

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]benzamide (CID 2579701) is 4-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]benzamide is CC(=O)Nc1ccc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is BMSSMXKNMYJJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF3N2O2/c1-9(23)21-11-4-2-10(3-5-11)15(24)22-12-6-7-14(17)13(8-12)16(18,19)20/h2-8H,1H3,(H,21,23)(H,22,24).
What are the key properties of 4-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]benzamide?
4-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 401.18 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 2579701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).