N-[2-(4-bromoanilino)-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide

C16H12BrF3N2O2S — CID 55880032

IUPACN-[2-(4-bromoanilino)-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide
SMILESO=C(CNC(=O)c1ccccc1SC(F)(F)F)Nc1ccc(Br)cc1
InChIInChI=1S/C16H12BrF3N2O2S/c17-10-5-7-11(8-6-10)22-14(23)9-21-15(24)12-3-1-2-4-13(12)25-16(18,19)20/h1-8H,9H2,(H,21,24)(H,22,23)
InChIKeyYXUKFSMDEDLTLO-UHFFFAOYSA-N
MW433.25 g/mol
LogP4.43
Rot. Bonds5

About N-[2-(4-bromoanilino)-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide

N-[2-(4-bromoanilino)-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide (PubChem CID 55880032) has the molecular formula C16H12BrF3N2O2S and a molecular weight of 433.25 g/mol. Its IUPAC name is N-[2-(4-bromoanilino)-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-bromoanilino)-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide
PubChem CID55880032
Molecular FormulaC16H12BrF3N2O2S
Molecular Weight433.25 g/mol
Exact Mass431.98
IUPAC NameN-[2-(4-bromoanilino)-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide
SMILESO=C(CNC(=O)c1ccccc1SC(F)(F)F)Nc1ccc(Br)cc1
InChIInChI=1S/C16H12BrF3N2O2S/c17-10-5-7-11(8-6-10)22-14(23)9-21-15(24)12-3-1-2-4-13(12)25-16(18,19)20/h1-8H,9H2,(H,21,24)(H,22,23)
InChIKeyYXUKFSMDEDLTLO-UHFFFAOYSA-N
XLogP4.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.25
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-methylbutanoylamino)phenyl]-2-(trifluoromethylsulfanyl)benzamide
CID 55608407
N-[2-(4-bromoanilino)-2-oxoethyl]-2-methoxybenzamide
CID 26537380
N-(4-acetamidophenyl)-2-(trifluoromethylsulfanyl)benzamide
CID 55604501
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide
CID 46937197
N-(2-hydroxypropyl)-2-(trifluoromethylsulfanyl)benzamide
CID 43427741
N-[2-(4-bromoanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide
CID 55960943
2-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 26578993
4-bromo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 35184223
N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]naphthalene-1-carboxamide
CID 1057508
2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 3424482
5-[[2-(trifluoromethylsulfanyl)benzoyl]amino]pentanoic acid
CID 62033399
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 52897026

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide (CID 55880032) is N-[2-(4-bromoanilino)-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-[2-(4-bromoanilino)-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-[2-(4-bromoanilino)-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide is O=C(CNC(=O)c1ccccc1SC(F)(F)F)Nc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromoanilino)-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide?
The InChIKey is YXUKFSMDEDLTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF3N2O2S/c17-10-5-7-11(8-6-10)22-14(23)9-21-15(24)12-3-1-2-4-13(12)25-16(18,19)20/h1-8H,9H2,(H,21,24)(H,22,23).
What are the key properties of N-[2-(4-bromoanilino)-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide?
N-[2-(4-bromoanilino)-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide has a molecular weight of 433.25 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromoanilino)-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 55880032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).