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

C17H14BrF3N2O2 — CID 108933360

IUPAC3-(3-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
SMILESO=C(CCc1cccc(Br)c1)Nc1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C17H14BrF3N2O2/c18-12-4-1-3-11(9-12)7-8-15(24)22-13-5-2-6-14(10-13)23-16(25)17(19,20)21/h1-6,9-10H,7-8H2,(H,22,24)(H,23,25)
InChIKeyDVCXFCHYZYLHMB-UHFFFAOYSA-N
MW415.21 g/mol
LogP4.52
Rot. Bonds5

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

3-(3-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide (PubChem CID 108933360) has the molecular formula C17H14BrF3N2O2 and a molecular weight of 415.21 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
PubChem CID108933360
Molecular FormulaC17H14BrF3N2O2
Molecular Weight415.21 g/mol
Exact Mass414.02
IUPAC Name3-(3-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
SMILESO=C(CCc1cccc(Br)c1)Nc1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C17H14BrF3N2O2/c18-12-4-1-3-11(9-12)7-8-15(24)22-13-5-2-6-14(10-13)23-16(25)17(19,20)21/h1-6,9-10H,7-8H2,(H,22,24)(H,23,25)
InChIKeyDVCXFCHYZYLHMB-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-hydroxyphenyl)propanamide
CID 78783817
3-(2-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
CID 108933355
3-(3-aminophenyl)-N-(3-bromophenyl)propanamide
CID 28713600
3-(3-bromophenyl)-N-(3-methylsulfanylphenyl)propanamide
CID 43011243
N-(3-bromophenyl)-3-(4-tert-butylphenyl)propanamide
CID 19221197
4-(4-bromo-2-chlorophenoxy)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
CID 108933284
N-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 9341227
3-(3-methoxyphenyl)-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
CID 108934666
3-(4-fluorophenyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
CID 110622806
N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide
CID 895724
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
CID 54795568
1-[[3-(3-bromophenyl)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449320

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide?
The IUPAC name of 3-(3-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide (CID 108933360) is 3-(3-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide?
The canonical SMILES for 3-(3-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide is O=C(CCc1cccc(Br)c1)Nc1cccc(NC(=O)C(F)(F)F)c1.
What is the InChIKey of 3-(3-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide?
The InChIKey is DVCXFCHYZYLHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrF3N2O2/c18-12-4-1-3-11(9-12)7-8-15(24)22-13-5-2-6-14(10-13)23-16(25)17(19,20)21/h1-6,9-10H,7-8H2,(H,22,24)(H,23,25).
What are the key properties of 3-(3-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide?
3-(3-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-(3-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide is sourced from PubChem (CID 108933360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).