3-(4-bromophenyl)-5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxybenzamide

C20H11BrCl2F3NO2 — CID 154270745

IUPAC3-(4-bromophenyl)-5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxybenzamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(Cl)cc(-c2ccc(Br)cc2)c1O
InChIInChI=1S/C20H11BrCl2F3NO2/c21-11-3-1-10(2-4-11)14-7-12(22)8-15(18(14)28)19(29)27-13-5-6-17(23)16(9-13)20(24,25)26/h1-9,28H,(H,27,29)
InChIKeyYMUYLMVSMXFADR-UHFFFAOYSA-N
MW505.12 g/mol
LogP7.40
Rot. Bonds3

About 3-(4-bromophenyl)-5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxybenzamide

3-(4-bromophenyl)-5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxybenzamide (PubChem CID 154270745) has the molecular formula C20H11BrCl2F3NO2 and a molecular weight of 505.12 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxybenzamide
PubChem CID154270745
Molecular FormulaC20H11BrCl2F3NO2
Molecular Weight505.12 g/mol
Exact Mass502.93
IUPAC Name3-(4-bromophenyl)-5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxybenzamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(Cl)cc(-c2ccc(Br)cc2)c1O
InChIInChI=1S/C20H11BrCl2F3NO2/c21-11-3-1-10(2-4-11)14-7-12(22)8-15(18(14)28)19(29)27-13-5-6-17(23)16(9-13)20(24,25)26/h1-9,28H,(H,27,29)
InChIKeyYMUYLMVSMXFADR-UHFFFAOYSA-N
XLogP7.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.12
LogP ≤ 57.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 103751854
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 17168217
3-(4-bromophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2,1-benzoxazole-5-carboxamide
CID 16652021
5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1282971
4-(3-chloro-2-pyridinyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 11407730
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3,4-dichlorophenyl)-2-methylfuran-3-carboxamide
CID 18809202
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide
CID 2084506
2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluorobenzamide
CID 110452028
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]urea
CID 19433222
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-iodobenzamide
CID 1221652
4-[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide
CID 44526072
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,5-dihydroxyphenyl)urea
CID 108895420

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxybenzamide?
The IUPAC name of 3-(4-bromophenyl)-5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxybenzamide (CID 154270745) is 3-(4-bromophenyl)-5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxybenzamide.
What is the SMILES notation for 3-(4-bromophenyl)-5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxybenzamide?
The canonical SMILES for 3-(4-bromophenyl)-5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxybenzamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(Cl)cc(-c2ccc(Br)cc2)c1O.
What is the InChIKey of 3-(4-bromophenyl)-5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxybenzamide?
The InChIKey is YMUYLMVSMXFADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11BrCl2F3NO2/c21-11-3-1-10(2-4-11)14-7-12(22)8-15(18(14)28)19(29)27-13-5-6-17(23)16(9-13)20(24,25)26/h1-9,28H,(H,27,29).
What are the key properties of 3-(4-bromophenyl)-5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxybenzamide?
3-(4-bromophenyl)-5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxybenzamide has a molecular weight of 505.12 g/mol, XLogP of 7.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxybenzamide is sourced from PubChem (CID 154270745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).