N-[2-bromo-5-(trifluoromethyl)phenyl]-4-ethoxybenzamide

C16H13BrF3NO2 — CID 1235281

IUPACN-[2-bromo-5-(trifluoromethyl)phenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Br)cc1
InChIInChI=1S/C16H13BrF3NO2/c1-2-23-12-6-3-10(4-7-12)15(22)21-14-9-11(16(18,19)20)5-8-13(14)17/h3-9H,2H2,1H3,(H,21,22)
InChIKeyJTQKRQHMPALVSV-UHFFFAOYSA-N
MW388.18 g/mol
LogP5.12
Rot. Bonds4

About N-[2-bromo-5-(trifluoromethyl)phenyl]-4-ethoxybenzamide

N-[2-bromo-5-(trifluoromethyl)phenyl]-4-ethoxybenzamide (PubChem CID 1235281) has the molecular formula C16H13BrF3NO2 and a molecular weight of 388.18 g/mol. Its IUPAC name is N-[2-bromo-5-(trifluoromethyl)phenyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-bromo-5-(trifluoromethyl)phenyl]-4-ethoxybenzamide
PubChem CID1235281
Molecular FormulaC16H13BrF3NO2
Molecular Weight388.18 g/mol
Exact Mass387.01
IUPAC NameN-[2-bromo-5-(trifluoromethyl)phenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Br)cc1
InChIInChI=1S/C16H13BrF3NO2/c1-2-23-12-6-3-10(4-7-12)15(22)21-14-9-11(16(18,19)20)5-8-13(14)17/h3-9H,2H2,1H3,(H,21,22)
InChIKeyJTQKRQHMPALVSV-UHFFFAOYSA-N
XLogP5.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.18
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1395997
4-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2093034
N-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 23149635
N-(5-tert-butyl-2-hydroxyphenyl)-4-ethoxybenzamide
CID 27672955
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
CID 1251443
N-(2-bromo-5-chlorophenyl)-4-(trifluoromethyl)benzamide
CID 81261644
4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30350028
3-bromo-4-ethoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2067330
N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 2128081
3-ethoxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 28639289
N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 2224741
4-ethoxy-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
CID 55786703

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-5-(trifluoromethyl)phenyl]-4-ethoxybenzamide?
The IUPAC name of N-[2-bromo-5-(trifluoromethyl)phenyl]-4-ethoxybenzamide (CID 1235281) is N-[2-bromo-5-(trifluoromethyl)phenyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[2-bromo-5-(trifluoromethyl)phenyl]-4-ethoxybenzamide?
The canonical SMILES for N-[2-bromo-5-(trifluoromethyl)phenyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Br)cc1.
What is the InChIKey of N-[2-bromo-5-(trifluoromethyl)phenyl]-4-ethoxybenzamide?
The InChIKey is JTQKRQHMPALVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF3NO2/c1-2-23-12-6-3-10(4-7-12)15(22)21-14-9-11(16(18,19)20)5-8-13(14)17/h3-9H,2H2,1H3,(H,21,22).
What are the key properties of N-[2-bromo-5-(trifluoromethyl)phenyl]-4-ethoxybenzamide?
N-[2-bromo-5-(trifluoromethyl)phenyl]-4-ethoxybenzamide has a molecular weight of 388.18 g/mol, XLogP of 5.12, 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]-4-ethoxybenzamide is sourced from PubChem (CID 1235281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).