2-bromo-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

C17H15BrF3NO2 — CID 27774139

IUPAC2-bromo-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NCCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H15BrF3NO2/c1-24-13-6-7-15(18)14(10-13)16(23)22-9-8-11-2-4-12(5-3-11)17(19,20)21/h2-7,10H,8-9H2,1H3,(H,22,23)
InChIKeyJKVIEIKCZVBGCZ-UHFFFAOYSA-N
MW402.21 g/mol
LogP4.45
Rot. Bonds5

About 2-bromo-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

2-bromo-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 27774139) has the molecular formula C17H15BrF3NO2 and a molecular weight of 402.21 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID27774139
Molecular FormulaC17H15BrF3NO2
Molecular Weight402.21 g/mol
Exact Mass401.02
IUPAC Name2-bromo-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NCCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H15BrF3NO2/c1-24-13-6-7-15(18)14(10-13)16(23)22-9-8-11-2-4-12(5-3-11)17(19,20)21/h2-7,10H,8-9H2,1H3,(H,22,23)
InChIKeyJKVIEIKCZVBGCZ-UHFFFAOYSA-N
XLogP4.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.21
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 27646500
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
2-bromo-5-methoxy-N-(5,5,5-trifluoropentyl)benzamide
CID 115491577
2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 699177
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621
2-bromo-5-methoxy-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide
CID 154576769
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429716
(2-bromo-5-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 105095598
2-bromo-N-(4-chlorobutyl)-5-methoxybenzamide
CID 106845438
2-bromo-N-(6-bromohexyl)-5-methoxybenzamide
CID 107847455

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (CID 27774139) is 2-bromo-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is COc1ccc(Br)c(C(=O)NCCc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is JKVIEIKCZVBGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF3NO2/c1-24-13-6-7-15(18)14(10-13)16(23)22-9-8-11-2-4-12(5-3-11)17(19,20)21/h2-7,10H,8-9H2,1H3,(H,22,23).
What are the key properties of 2-bromo-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
2-bromo-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 402.21 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 27774139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).