3-chloro-N-(2-chloro-4-methylphenyl)-6-hydroxy-2-methylbenzamide;formaldehyde;1,1,1-trifluoroethane

C19H20Cl2F3NO4 — CID 143324950

IUPAC3-chloro-N-(2-chloro-4-methylphenyl)-6-hydroxy-2-methylbenzamide;formaldehyde;1,1,1-trifluoroethane
SMILESC=O.C=O.CC(F)(F)F.Cc1ccc(NC(=O)c2c(O)ccc(Cl)c2C)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO2.C2H3F3.2CH2O/c1-8-3-5-12(11(17)7-8)18-15(20)14-9(2)10(16)4-6-13(14)19;1-2(3,4)5;2*1-2/h3-7,19H,1-2H3,(H,18,20);1H3;2*1H2
InChIKeyFLWLSJVBOXDVJS-UHFFFAOYSA-N
MW454.27 g/mol
LogP5.77
Rot. Bonds2

About 3-chloro-N-(2-chloro-4-methylphenyl)-6-hydroxy-2-methylbenzamide;formaldehyde;1,1,1-trifluoroethane

3-chloro-N-(2-chloro-4-methylphenyl)-6-hydroxy-2-methylbenzamide;formaldehyde;1,1,1-trifluoroethane (PubChem CID 143324950) has the molecular formula C19H20Cl2F3NO4 and a molecular weight of 454.27 g/mol. Its IUPAC name is 3-chloro-N-(2-chloro-4-methylphenyl)-6-hydroxy-2-methylbenzamide;formaldehyde;1,1,1-trifluoroethane.

Molecular Properties

Compound Name3-chloro-N-(2-chloro-4-methylphenyl)-6-hydroxy-2-methylbenzamide;formaldehyde;1,1,1-trifluoroethane
PubChem CID143324950
Molecular FormulaC19H20Cl2F3NO4
Molecular Weight454.27 g/mol
Exact Mass453.07
IUPAC Name3-chloro-N-(2-chloro-4-methylphenyl)-6-hydroxy-2-methylbenzamide;formaldehyde;1,1,1-trifluoroethane
SMILESC=O.C=O.CC(F)(F)F.Cc1ccc(NC(=O)c2c(O)ccc(Cl)c2C)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO2.C2H3F3.2CH2O/c1-8-3-5-12(11(17)7-8)18-15(20)14-9(2)10(16)4-6-13(14)19;1-2(3,4)5;2*1-2/h3-7,19H,1-2H3,(H,18,20);1H3;2*1H2
InChIKeyFLWLSJVBOXDVJS-UHFFFAOYSA-N
XLogP5.77
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.27
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-5-chloro-N-(2-chloro-4-methylphenyl)-2-hydroxy-6-methylbenzamide
CID 118641906
N-(2-chloro-5-methylphenyl)-2,6-dihydroxybenzamide
CID 107689718
2-bromo-N-(2-chloro-4-methylphenyl)-6-fluorobenzamide
CID 115678082
N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643
N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide
CID 2549224
N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxy-5-methylbenzamide
CID 145271067
N-[2-chloro-4-(trifluoromethylsulfinyl)phenyl]-6-hydroxy-2,4-dimethyl-3-methylsulfanylbenzamide
CID 143324924
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967462
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 2540447
4-amino-3,5-dichloro-N-(2-chloro-4-methylphenyl)benzamide
CID 82832914
2,3,6-trichloro-N-(2,4-dimethylphenyl)benzamide
CID 19166051

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chloro-4-methylphenyl)-6-hydroxy-2-methylbenzamide;formaldehyde;1,1,1-trifluoroethane?
The IUPAC name of 3-chloro-N-(2-chloro-4-methylphenyl)-6-hydroxy-2-methylbenzamide;formaldehyde;1,1,1-trifluoroethane (CID 143324950) is 3-chloro-N-(2-chloro-4-methylphenyl)-6-hydroxy-2-methylbenzamide;formaldehyde;1,1,1-trifluoroethane.
What is the SMILES notation for 3-chloro-N-(2-chloro-4-methylphenyl)-6-hydroxy-2-methylbenzamide;formaldehyde;1,1,1-trifluoroethane?
The canonical SMILES for 3-chloro-N-(2-chloro-4-methylphenyl)-6-hydroxy-2-methylbenzamide;formaldehyde;1,1,1-trifluoroethane is C=O.C=O.CC(F)(F)F.Cc1ccc(NC(=O)c2c(O)ccc(Cl)c2C)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-chloro-4-methylphenyl)-6-hydroxy-2-methylbenzamide;formaldehyde;1,1,1-trifluoroethane?
The InChIKey is FLWLSJVBOXDVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2.C2H3F3.2CH2O/c1-8-3-5-12(11(17)7-8)18-15(20)14-9(2)10(16)4-6-13(14)19;1-2(3,4)5;2*1-2/h3-7,19H,1-2H3,(H,18,20);1H3;2*1H2.
What are the key properties of 3-chloro-N-(2-chloro-4-methylphenyl)-6-hydroxy-2-methylbenzamide;formaldehyde;1,1,1-trifluoroethane?
3-chloro-N-(2-chloro-4-methylphenyl)-6-hydroxy-2-methylbenzamide;formaldehyde;1,1,1-trifluoroethane has a molecular weight of 454.27 g/mol, XLogP of 5.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-chloro-4-methylphenyl)-6-hydroxy-2-methylbenzamide;formaldehyde;1,1,1-trifluoroethane is sourced from PubChem (CID 143324950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).