3-(2-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide

C17H14BrF3N2O2 — CID 108933355

IUPAC3-(2-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
SMILESO=C(CCc1ccccc1Br)Nc1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C17H14BrF3N2O2/c18-14-7-2-1-4-11(14)8-9-15(24)22-12-5-3-6-13(10-12)23-16(25)17(19,20)21/h1-7,10H,8-9H2,(H,22,24)(H,23,25)
InChIKeyWTKFWQFQCGMPBA-UHFFFAOYSA-N
MW415.21 g/mol
LogP4.52
Rot. Bonds5

About 3-(2-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide

3-(2-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide (PubChem CID 108933355) has the molecular formula C17H14BrF3N2O2 and a molecular weight of 415.21 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
PubChem CID108933355
Molecular FormulaC17H14BrF3N2O2
Molecular Weight415.21 g/mol
Exact Mass414.02
IUPAC Name3-(2-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
SMILESO=C(CCc1ccccc1Br)Nc1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C17H14BrF3N2O2/c18-14-7-2-1-4-11(14)8-9-15(24)22-12-5-3-6-13(10-12)23-16(25)17(19,20)21/h1-7,10H,8-9H2,(H,22,24)(H,23,25)
InChIKeyWTKFWQFQCGMPBA-UHFFFAOYSA-N
XLogP4.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.21
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
CID 108933360
3-(2-chlorophenyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
CID 110622808
3-(2-bromophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]propanamide
CID 55907825
3-(2-bromophenyl)-N-hydroxypropanamide
CID 130732789
3-(2-bromophenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 47267332
N-(3-bromophenyl)-3-(2-chlorophenyl)propanamide
CID 17252222
N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide
CID 895724
tert-butyl N-[2-[[3-[3-(2-bromophenyl)propanoylamino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108918576
tert-butyl N-[3-oxo-3-[3-[(2,2,2-trifluoroacetyl)amino]anilino]propyl]carbamate
CID 108919991
4-(4-bromo-2-chlorophenoxy)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
CID 108933284
N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795540
4-(4-methylphenoxy)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
CID 108933281

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide?
The IUPAC name of 3-(2-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide (CID 108933355) is 3-(2-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide?
The canonical SMILES for 3-(2-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide is O=C(CCc1ccccc1Br)Nc1cccc(NC(=O)C(F)(F)F)c1.
What is the InChIKey of 3-(2-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide?
The InChIKey is WTKFWQFQCGMPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrF3N2O2/c18-14-7-2-1-4-11(14)8-9-15(24)22-12-5-3-6-13(10-12)23-16(25)17(19,20)21/h1-7,10H,8-9H2,(H,22,24)(H,23,25).
What are the key properties of 3-(2-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide?
3-(2-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide has a molecular weight of 415.21 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide is sourced from PubChem (CID 108933355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).