3,5-dichloro-N,N-bis(2-ethylhexyl)-2-hydroxybenzamide

C23H37Cl2NO2 — CID 166025778

IUPAC3,5-dichloro-N,N-bis(2-ethylhexyl)-2-hydroxybenzamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C23H37Cl2NO2/c1-5-9-11-17(7-3)15-26(16-18(8-4)12-10-6-2)23(28)20-13-19(24)14-21(25)22(20)27/h13-14,17-18,27H,5-12,15-16H2,1-4H3
InChIKeyOAWUIGDHHJLNDD-UHFFFAOYSA-N
MW430.46 g/mol
LogP7.57
Rot. Bonds13

About 3,5-dichloro-N,N-bis(2-ethylhexyl)-2-hydroxybenzamide

3,5-dichloro-N,N-bis(2-ethylhexyl)-2-hydroxybenzamide (PubChem CID 166025778) has the molecular formula C23H37Cl2NO2 and a molecular weight of 430.46 g/mol. Its IUPAC name is 3,5-dichloro-N,N-bis(2-ethylhexyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N,N-bis(2-ethylhexyl)-2-hydroxybenzamide
PubChem CID166025778
Molecular FormulaC23H37Cl2NO2
Molecular Weight430.46 g/mol
Exact Mass429.22
IUPAC Name3,5-dichloro-N,N-bis(2-ethylhexyl)-2-hydroxybenzamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C23H37Cl2NO2/c1-5-9-11-17(7-3)15-26(16-18(8-4)12-10-6-2)23(28)20-13-19(24)14-21(25)22(20)27/h13-14,17-18,27H,5-12,15-16H2,1-4H3
InChIKeyOAWUIGDHHJLNDD-UHFFFAOYSA-N
XLogP7.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.46
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(2-ethylhexyl)-2,4-difluorobenzamide
CID 91717598
1-(3,5-dichloro-2-hydroxyphenyl)octan-1-one
CID 21284637
N,N-bis(2-ethylhexyl)-2-nitrobenzamide;methane
CID 157108849
2-chloro-N,N-bis[(2R)-2-ethylhexyl]acetamide
CID 129361637
bis(2-ethylhexyl)carbamothioic S-acid
CID 25087104
5-chloro-N-(2-ethylhexyl)-2-hydroxybenzamide
CID 14692803
N,N,N',N'-tetrakis(2-ethylhexyl)hexanediamide
CID 20752277
2-[(1R)-1-aminopentyl]-4,6-dichlorophenol
CID 171197706
1-(3,5-dichloro-2-hydroxyphenyl)-3-pentyl-1-sulfanylurea
CID 87655740
2-[(1R)-1-aminopentyl]-4,6-dichlorophenol;hydrochloride
CID 171197707
4-bromo-N-ethyl-N-(2-ethylhexyl)benzamide
CID 91728276
N-[5-[bis(2-ethylhexyl)amino]-2-(2-hydroxy-3,4-dioxocyclobuten-1-yl)phenyl]-2,2-dimethylbutanamide
CID 169045315

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N,N-bis(2-ethylhexyl)-2-hydroxybenzamide?
The IUPAC name of 3,5-dichloro-N,N-bis(2-ethylhexyl)-2-hydroxybenzamide (CID 166025778) is 3,5-dichloro-N,N-bis(2-ethylhexyl)-2-hydroxybenzamide.
What is the SMILES notation for 3,5-dichloro-N,N-bis(2-ethylhexyl)-2-hydroxybenzamide?
The canonical SMILES for 3,5-dichloro-N,N-bis(2-ethylhexyl)-2-hydroxybenzamide is CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichloro-N,N-bis(2-ethylhexyl)-2-hydroxybenzamide?
The InChIKey is OAWUIGDHHJLNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37Cl2NO2/c1-5-9-11-17(7-3)15-26(16-18(8-4)12-10-6-2)23(28)20-13-19(24)14-21(25)22(20)27/h13-14,17-18,27H,5-12,15-16H2,1-4H3.
What are the key properties of 3,5-dichloro-N,N-bis(2-ethylhexyl)-2-hydroxybenzamide?
3,5-dichloro-N,N-bis(2-ethylhexyl)-2-hydroxybenzamide has a molecular weight of 430.46 g/mol, XLogP of 7.57, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N,N-bis(2-ethylhexyl)-2-hydroxybenzamide is sourced from PubChem (CID 166025778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).