N-[2-bromo-4-(trifluoromethyl)phenyl]-5-chloro-2-hydroxy-3-(2-methoxyethoxymethyl)benzamide

C18H16BrClF3NO4 — CID 176911559

IUPACN-[2-bromo-4-(trifluoromethyl)phenyl]-5-chloro-2-hydroxy-3-(2-methoxyethoxymethyl)benzamide
SMILESCOCCOCc1cc(Cl)cc(C(=O)Nc2ccc(C(F)(F)F)cc2Br)c1O
InChIInChI=1S/C18H16BrClF3NO4/c1-27-4-5-28-9-10-6-12(20)8-13(16(10)25)17(26)24-15-3-2-11(7-14(15)19)18(21,22)23/h2-3,6-8,25H,4-5,9H2,1H3,(H,24,26)
InChIKeyLHEJXFIQKNYGDM-UHFFFAOYSA-N
MW482.68 g/mol
LogP5.24
Rot. Bonds7

About N-[2-bromo-4-(trifluoromethyl)phenyl]-5-chloro-2-hydroxy-3-(2-methoxyethoxymethyl)benzamide

N-[2-bromo-4-(trifluoromethyl)phenyl]-5-chloro-2-hydroxy-3-(2-methoxyethoxymethyl)benzamide (PubChem CID 176911559) has the molecular formula C18H16BrClF3NO4 and a molecular weight of 482.68 g/mol. Its IUPAC name is N-[2-bromo-4-(trifluoromethyl)phenyl]-5-chloro-2-hydroxy-3-(2-methoxyethoxymethyl)benzamide.

Molecular Properties

Compound NameN-[2-bromo-4-(trifluoromethyl)phenyl]-5-chloro-2-hydroxy-3-(2-methoxyethoxymethyl)benzamide
PubChem CID176911559
Molecular FormulaC18H16BrClF3NO4
Molecular Weight482.68 g/mol
Exact Mass480.99
IUPAC NameN-[2-bromo-4-(trifluoromethyl)phenyl]-5-chloro-2-hydroxy-3-(2-methoxyethoxymethyl)benzamide
SMILESCOCCOCc1cc(Cl)cc(C(=O)Nc2ccc(C(F)(F)F)cc2Br)c1O
InChIInChI=1S/C18H16BrClF3NO4/c1-27-4-5-28-9-10-6-12(20)8-13(16(10)25)17(26)24-15-3-2-11(7-14(15)19)18(21,22)23/h2-3,6-8,25H,4-5,9H2,1H3,(H,24,26)
InChIKeyLHEJXFIQKNYGDM-UHFFFAOYSA-N
XLogP5.24
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.68
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[5-chloro-2-hydroxy-3-(2-methoxyethoxymethyl)phenyl]ethanone
CID 171074474
5-chloro-2-hydroxy-3-(3-methoxypropyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
CID 171074266
N-[2-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
CID 71381236
4-fluoro-3-N-[[4-fluoro-2-(2-methoxyethoxymethyl)phenyl]methyl]-1-N-[2-methyl-4-(trifluoromethyl)phenyl]-6-sulfanylbenzene-1,3-dicarboxamide
CID 166449457
5-chloro-N-[(2Z,4Z,6Z)-2-chloro-7-methyl-6-(trifluoromethyl)nona-2,4,6-trien-3-yl]-2-hydroxy-3-(2-methoxyethoxymethyl)benzamide
CID 171074614
N-(2-bromo-4-tert-butylphenyl)-2-chlorobenzamide
CID 53268072
3-[[bis(2-methoxyethyl)amino]methyl]-5-chloro-2-hydroxy-N-[4-methyl-6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
CID 171074399
2-(butanoylamino)-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzamide
CID 139521347
2-[2-bromo-4-(trifluoromethyl)anilino]-3-methoxypropan-1-ol
CID 114155567
2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide
CID 63049440
[2-[(4-chloro-2-methoxybenzoyl)amino]-5-(trifluoromethyl)phenyl] 4-chloro-2-methoxybenzoate
CID 70691202
methyl 4-chloro-2-fluoro-5-[[2-methyl-4-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 171463797

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-4-(trifluoromethyl)phenyl]-5-chloro-2-hydroxy-3-(2-methoxyethoxymethyl)benzamide?
The IUPAC name of N-[2-bromo-4-(trifluoromethyl)phenyl]-5-chloro-2-hydroxy-3-(2-methoxyethoxymethyl)benzamide (CID 176911559) is N-[2-bromo-4-(trifluoromethyl)phenyl]-5-chloro-2-hydroxy-3-(2-methoxyethoxymethyl)benzamide.
What is the SMILES notation for N-[2-bromo-4-(trifluoromethyl)phenyl]-5-chloro-2-hydroxy-3-(2-methoxyethoxymethyl)benzamide?
The canonical SMILES for N-[2-bromo-4-(trifluoromethyl)phenyl]-5-chloro-2-hydroxy-3-(2-methoxyethoxymethyl)benzamide is COCCOCc1cc(Cl)cc(C(=O)Nc2ccc(C(F)(F)F)cc2Br)c1O.
What is the InChIKey of N-[2-bromo-4-(trifluoromethyl)phenyl]-5-chloro-2-hydroxy-3-(2-methoxyethoxymethyl)benzamide?
The InChIKey is LHEJXFIQKNYGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrClF3NO4/c1-27-4-5-28-9-10-6-12(20)8-13(16(10)25)17(26)24-15-3-2-11(7-14(15)19)18(21,22)23/h2-3,6-8,25H,4-5,9H2,1H3,(H,24,26).
What are the key properties of N-[2-bromo-4-(trifluoromethyl)phenyl]-5-chloro-2-hydroxy-3-(2-methoxyethoxymethyl)benzamide?
N-[2-bromo-4-(trifluoromethyl)phenyl]-5-chloro-2-hydroxy-3-(2-methoxyethoxymethyl)benzamide has a molecular weight of 482.68 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-4-(trifluoromethyl)phenyl]-5-chloro-2-hydroxy-3-(2-methoxyethoxymethyl)benzamide is sourced from PubChem (CID 176911559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).