N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-3,5-dichloro-2-hydroxybenzamide

C21H11Cl2F6NO3 — CID 142662859

IUPACN-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-3,5-dichloro-2-hydroxybenzamide
SMILESO=C(Nc1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C21H11Cl2F6NO3/c22-12-8-16(18(31)17(23)9-12)19(32)30-13-1-3-14(4-2-13)33-15-6-10(20(24,25)26)5-11(7-15)21(27,28)29/h1-9,31H,(H,30,32)
InChIKeyWTSXSQKYPGEXBF-UHFFFAOYSA-N
MW510.22 g/mol
LogP7.78
Rot. Bonds4

About N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-3,5-dichloro-2-hydroxybenzamide

N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-3,5-dichloro-2-hydroxybenzamide (PubChem CID 142662859) has the molecular formula C21H11Cl2F6NO3 and a molecular weight of 510.22 g/mol. Its IUPAC name is N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-3,5-dichloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-3,5-dichloro-2-hydroxybenzamide
PubChem CID142662859
Molecular FormulaC21H11Cl2F6NO3
Molecular Weight510.22 g/mol
Exact Mass509.00
IUPAC NameN-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-3,5-dichloro-2-hydroxybenzamide
SMILESO=C(Nc1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C21H11Cl2F6NO3/c22-12-8-16(18(31)17(23)9-12)19(32)30-13-1-3-14(4-2-13)33-15-6-10(20(24,25)26)5-11(7-15)21(27,28)29/h1-9,31H,(H,30,32)
InChIKeyWTSXSQKYPGEXBF-UHFFFAOYSA-N
XLogP7.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.22
LogP ≤ 57.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-2-fluoro-5-iodobenzamide
CID 155566462
3,5-dichloro-N-[3-chloro-4-(3,5-dichlorophenoxy)phenyl]-2-hydroxybenzamide
CID 162650090
3,5-dichloro-N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-hydroxybenzamide
CID 10116535
N-(3-bromo-4-phenoxyphenyl)-3,5-dichloro-2-hydroxybenzamide
CID 162656930
5-chloro-2-hydroxy-N-[3-naphthalen-2-yloxy-5-(trifluoromethyl)phenyl]benzamide
CID 69017984
5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-hydroxybenzamide
CID 163300797
3,5-dichloro-2-hydroxy-N-(4-nitrophenyl)benzamide
CID 3271615
3-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenyl]propanoic acid
CID 11291166
4,5-dichloro-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide
CID 134151897
2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2064029
2-hydroxy-N-phenyl-3,5-bis(trifluoromethyl)benzamide
CID 154394925
N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide
CID 2268598

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-3,5-dichloro-2-hydroxybenzamide?
The IUPAC name of N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-3,5-dichloro-2-hydroxybenzamide (CID 142662859) is N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-3,5-dichloro-2-hydroxybenzamide.
What is the SMILES notation for N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-3,5-dichloro-2-hydroxybenzamide?
The canonical SMILES for N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-3,5-dichloro-2-hydroxybenzamide is O=C(Nc1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-3,5-dichloro-2-hydroxybenzamide?
The InChIKey is WTSXSQKYPGEXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11Cl2F6NO3/c22-12-8-16(18(31)17(23)9-12)19(32)30-13-1-3-14(4-2-13)33-15-6-10(20(24,25)26)5-11(7-15)21(27,28)29/h1-9,31H,(H,30,32).
What are the key properties of N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-3,5-dichloro-2-hydroxybenzamide?
N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-3,5-dichloro-2-hydroxybenzamide has a molecular weight of 510.22 g/mol, XLogP of 7.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-3,5-dichloro-2-hydroxybenzamide is sourced from PubChem (CID 142662859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).