N-[2-bromo-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)prop-2-enamide

C17H13BrF3NO2 — CID 162358113

IUPACN-[2-bromo-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)prop-2-enamide
SMILESC=C(C(=O)Nc1cc(C(F)(F)F)ccc1Br)c1ccccc1OC
InChIInChI=1S/C17H13BrF3NO2/c1-10(12-5-3-4-6-15(12)24-2)16(23)22-14-9-11(17(19,20)21)7-8-13(14)18/h3-9H,1H2,2H3,(H,22,23)
InChIKeyHLOGFGXEGAMCRB-UHFFFAOYSA-N
MW400.19 g/mol
LogP5.13
Rot. Bonds4

About N-[2-bromo-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)prop-2-enamide

N-[2-bromo-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)prop-2-enamide (PubChem CID 162358113) has the molecular formula C17H13BrF3NO2 and a molecular weight of 400.19 g/mol. Its IUPAC name is N-[2-bromo-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[2-bromo-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)prop-2-enamide
PubChem CID162358113
Molecular FormulaC17H13BrF3NO2
Molecular Weight400.19 g/mol
Exact Mass399.01
IUPAC NameN-[2-bromo-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)prop-2-enamide
SMILESC=C(C(=O)Nc1cc(C(F)(F)F)ccc1Br)c1ccccc1OC
InChIInChI=1S/C17H13BrF3NO2/c1-10(12-5-3-4-6-15(12)24-2)16(23)22-14-9-11(17(19,20)21)7-8-13(14)18/h3-9H,1H2,2H3,(H,22,23)
InChIKeyHLOGFGXEGAMCRB-UHFFFAOYSA-N
XLogP5.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.19
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxybenzamide
CID 871827
2-[(2-methoxybenzoyl)amino]-4-(trifluoromethyl)benzamide
CID 59299610
N-[2-amino-4-(trifluoromethyl)phenyl]-2-methoxybenzamide
CID 16775181
2-methoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1422102
N-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 8873512
2-bromo-2,2-difluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanone
CID 146009299
N-[2-bromo-5-(trifluoromethyl)phenyl]-3-phenylprop-2-ynamide
CID 132601982
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 86609606
(2-methoxyphenyl) 2-[3-(trifluoromethyl)anilino]benzoate
CID 11596190
N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide
CID 11430575
2-acetamido-N-[2-bromo-5-(trifluoromethyl)phenyl]acetamide
CID 114042935
2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide
CID 63049440

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-[2-bromo-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)prop-2-enamide (CID 162358113) is N-[2-bromo-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-[2-bromo-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-[2-bromo-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)prop-2-enamide is C=C(C(=O)Nc1cc(C(F)(F)F)ccc1Br)c1ccccc1OC.
What is the InChIKey of N-[2-bromo-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is HLOGFGXEGAMCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF3NO2/c1-10(12-5-3-4-6-15(12)24-2)16(23)22-14-9-11(17(19,20)21)7-8-13(14)18/h3-9H,1H2,2H3,(H,22,23).
What are the key properties of N-[2-bromo-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)prop-2-enamide?
N-[2-bromo-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 400.19 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 162358113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).