N-(3-bromophenyl)-3-[2-(trifluoromethyl)anilino]propanamide

C16H14BrF3N2O — CID 109040694

IUPACN-(3-bromophenyl)-3-[2-(trifluoromethyl)anilino]propanamide
SMILESO=C(CCNc1ccccc1C(F)(F)F)Nc1cccc(Br)c1
InChIInChI=1S/C16H14BrF3N2O/c17-11-4-3-5-12(10-11)22-15(23)8-9-21-14-7-2-1-6-13(14)16(18,19)20/h1-7,10,21H,8-9H2,(H,22,23)
InChIKeyFUGJNPNMCLWHTM-UHFFFAOYSA-N
MW387.20 g/mol
LogP4.91
Rot. Bonds5

About N-(3-bromophenyl)-3-[2-(trifluoromethyl)anilino]propanamide

N-(3-bromophenyl)-3-[2-(trifluoromethyl)anilino]propanamide (PubChem CID 109040694) has the molecular formula C16H14BrF3N2O and a molecular weight of 387.20 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-[2-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-[2-(trifluoromethyl)anilino]propanamide
PubChem CID109040694
Molecular FormulaC16H14BrF3N2O
Molecular Weight387.20 g/mol
Exact Mass386.02
IUPAC NameN-(3-bromophenyl)-3-[2-(trifluoromethyl)anilino]propanamide
SMILESO=C(CCNc1ccccc1C(F)(F)F)Nc1cccc(Br)c1
InChIInChI=1S/C16H14BrF3N2O/c17-11-4-3-5-12(10-11)22-15(23)8-9-21-14-7-2-1-6-13(14)16(18,19)20/h1-7,10,21H,8-9H2,(H,22,23)
InChIKeyFUGJNPNMCLWHTM-UHFFFAOYSA-N
XLogP4.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.20
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109040680
3-(3-bromoanilino)-N-(2-tert-butylphenyl)propanamide
CID 109037286
N-(3-chloro-4-methylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109038626
N-(3-bromophenyl)-3-(2-cyanoanilino)propanamide
CID 109042155
N-(3-bromophenyl)-3-(2-nitroanilino)propanamide
CID 16620730
N-(3-bromophenyl)-3-(4-fluoroanilino)propanamide
CID 109037759
3-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109036212
N-(4-bromophenyl)-3-(2-tert-butylanilino)propanamide
CID 109037311
3-(3-bromoanilino)-N-(3,4-difluorophenyl)propanamide
CID 109042183
N-(3-fluorophenyl)-2-[2-(trifluoromethyl)anilino]acetamide
CID 109009674
3-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109037892
3-(2,3-dimethylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109036048

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-[2-(trifluoromethyl)anilino]propanamide?
The IUPAC name of N-(3-bromophenyl)-3-[2-(trifluoromethyl)anilino]propanamide (CID 109040694) is N-(3-bromophenyl)-3-[2-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for N-(3-bromophenyl)-3-[2-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for N-(3-bromophenyl)-3-[2-(trifluoromethyl)anilino]propanamide is O=C(CCNc1ccccc1C(F)(F)F)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-3-[2-(trifluoromethyl)anilino]propanamide?
The InChIKey is FUGJNPNMCLWHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF3N2O/c17-11-4-3-5-12(10-11)22-15(23)8-9-21-14-7-2-1-6-13(14)16(18,19)20/h1-7,10,21H,8-9H2,(H,22,23).
What are the key properties of N-(3-bromophenyl)-3-[2-(trifluoromethyl)anilino]propanamide?
N-(3-bromophenyl)-3-[2-(trifluoromethyl)anilino]propanamide has a molecular weight of 387.20 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-[2-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 109040694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).