N-[2-chloro-4-(trifluoromethyl)phenyl]-5-(2,4-difluorophenyl)-2-hydroxybenzamide

C20H11ClF5NO2 — CID 164621224

IUPACN-[2-chloro-4-(trifluoromethyl)phenyl]-5-(2,4-difluorophenyl)-2-hydroxybenzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cc(-c2ccc(F)cc2F)ccc1O
InChIInChI=1S/C20H11ClF5NO2/c21-15-8-11(20(24,25)26)2-5-17(15)27-19(29)14-7-10(1-6-18(14)28)13-4-3-12(22)9-16(13)23/h1-9,28H,(H,27,29)
InChIKeyRELTVFDEJGAZPK-UHFFFAOYSA-N
MW427.76 g/mol
LogP6.26
Rot. Bonds3

About N-[2-chloro-4-(trifluoromethyl)phenyl]-5-(2,4-difluorophenyl)-2-hydroxybenzamide

N-[2-chloro-4-(trifluoromethyl)phenyl]-5-(2,4-difluorophenyl)-2-hydroxybenzamide (PubChem CID 164621224) has the molecular formula C20H11ClF5NO2 and a molecular weight of 427.76 g/mol. Its IUPAC name is N-[2-chloro-4-(trifluoromethyl)phenyl]-5-(2,4-difluorophenyl)-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-chloro-4-(trifluoromethyl)phenyl]-5-(2,4-difluorophenyl)-2-hydroxybenzamide
PubChem CID164621224
Molecular FormulaC20H11ClF5NO2
Molecular Weight427.76 g/mol
Exact Mass427.04
IUPAC NameN-[2-chloro-4-(trifluoromethyl)phenyl]-5-(2,4-difluorophenyl)-2-hydroxybenzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cc(-c2ccc(F)cc2F)ccc1O
InChIInChI=1S/C20H11ClF5NO2/c21-15-8-11(20(24,25)26)2-5-17(15)27-19(29)14-7-10(1-6-18(14)28)13-4-3-12(22)9-16(13)23/h1-9,28H,(H,27,29)
InChIKeyRELTVFDEJGAZPK-UHFFFAOYSA-N
XLogP6.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.76
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-fluorophenyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide
CID 175663537
5-(2,4-difluorophenyl)-2-hydroxybenzoic acid;5-(2,4-difluorophenyl)-2-hydroxybenzoyl chloride;5-(2,4-difluorophenyl)-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 157295394
4-(2,4-difluorophenyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 67343027
1-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]-2,2-dimethylpropan-1-one
CID 58554662
N-(2-chloro-4-cyanophenyl)-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide
CID 167080575
N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-(trifluoromethyl)benzamide
CID 155662759
N-[2-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
CID 71381236
N-[2-amino-4-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide
CID 16775252
N-(4-cyanophenyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide
CID 71812072
N-(2-chloro-4-hydroxyphenyl)-2,4-difluorobenzamide
CID 64786772
5-(2,4-difluorophenyl)-N-(3-ethynylphenyl)-2-hydroxybenzamide
CID 71812059
5-chloro-N-[2-[(4-chlorophenyl)disulfanyl]-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide
CID 141233852

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-5-(2,4-difluorophenyl)-2-hydroxybenzamide?
The IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-5-(2,4-difluorophenyl)-2-hydroxybenzamide (CID 164621224) is N-[2-chloro-4-(trifluoromethyl)phenyl]-5-(2,4-difluorophenyl)-2-hydroxybenzamide.
What is the SMILES notation for N-[2-chloro-4-(trifluoromethyl)phenyl]-5-(2,4-difluorophenyl)-2-hydroxybenzamide?
The canonical SMILES for N-[2-chloro-4-(trifluoromethyl)phenyl]-5-(2,4-difluorophenyl)-2-hydroxybenzamide is O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cc(-c2ccc(F)cc2F)ccc1O.
What is the InChIKey of N-[2-chloro-4-(trifluoromethyl)phenyl]-5-(2,4-difluorophenyl)-2-hydroxybenzamide?
The InChIKey is RELTVFDEJGAZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClF5NO2/c21-15-8-11(20(24,25)26)2-5-17(15)27-19(29)14-7-10(1-6-18(14)28)13-4-3-12(22)9-16(13)23/h1-9,28H,(H,27,29).
What are the key properties of N-[2-chloro-4-(trifluoromethyl)phenyl]-5-(2,4-difluorophenyl)-2-hydroxybenzamide?
N-[2-chloro-4-(trifluoromethyl)phenyl]-5-(2,4-difluorophenyl)-2-hydroxybenzamide has a molecular weight of 427.76 g/mol, XLogP of 6.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(trifluoromethyl)phenyl]-5-(2,4-difluorophenyl)-2-hydroxybenzamide is sourced from PubChem (CID 164621224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).