3,5-dichloro-N-cyclopentadecyl-2-hydroxybenzamide

C22H33Cl2NO2 — CID 72547632

IUPAC3,5-dichloro-N-cyclopentadecyl-2-hydroxybenzamide
SMILESO=C(NC1CCCCCCCCCCCCCC1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C22H33Cl2NO2/c23-17-15-19(21(26)20(24)16-17)22(27)25-18-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18/h15-16,18,26H,1-14H2,(H,25,27)
InChIKeyMTINZXUQZAYDEG-UHFFFAOYSA-N
MW414.42 g/mol
LogP7.27
Rot. Bonds2

About 3,5-dichloro-N-cyclopentadecyl-2-hydroxybenzamide

3,5-dichloro-N-cyclopentadecyl-2-hydroxybenzamide (PubChem CID 72547632) has the molecular formula C22H33Cl2NO2 and a molecular weight of 414.42 g/mol. Its IUPAC name is 3,5-dichloro-N-cyclopentadecyl-2-hydroxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-cyclopentadecyl-2-hydroxybenzamide
PubChem CID72547632
Molecular FormulaC22H33Cl2NO2
Molecular Weight414.42 g/mol
Exact Mass413.19
IUPAC Name3,5-dichloro-N-cyclopentadecyl-2-hydroxybenzamide
SMILESO=C(NC1CCCCCCCCCCCCCC1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C22H33Cl2NO2/c23-17-15-19(21(26)20(24)16-17)22(27)25-18-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18/h15-16,18,26H,1-14H2,(H,25,27)
InChIKeyMTINZXUQZAYDEG-UHFFFAOYSA-N
XLogP7.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.42
LogP ≤ 57.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide
CID 23880547
3,5-dichloro-N-(1-cyclopropylsulfonylazepan-3-yl)-2-hydroxybenzamide
CID 178146238
2-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid
CID 178146520
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182
2,5-dichloro-3-(cyclohexylcarbamoyl)benzenesulfonyl chloride
CID 65367156
3,5-dichloro-N-[8-(2-cyclobutylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide
CID 178146426
5-chloro-N-cyclohexyl-2-hydrazinylbenzamide
CID 62237687
5-chloro-N-cyclohexyl-2-oxo-1H-pyridine-3-carboxamide
CID 110848953
4-chloro-N-cycloheptyl-2-fluorobenzamide
CID 26002204
N-(9-acetyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3,5-dichloro-2-hydroxybenzamide
CID 178146348
4-chloro-2-(cyclohexylcarbamoyl)-6-nitrophenolate
CID 7038580

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-cyclopentadecyl-2-hydroxybenzamide?
The IUPAC name of 3,5-dichloro-N-cyclopentadecyl-2-hydroxybenzamide (CID 72547632) is 3,5-dichloro-N-cyclopentadecyl-2-hydroxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-cyclopentadecyl-2-hydroxybenzamide?
The canonical SMILES for 3,5-dichloro-N-cyclopentadecyl-2-hydroxybenzamide is O=C(NC1CCCCCCCCCCCCCC1)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichloro-N-cyclopentadecyl-2-hydroxybenzamide?
The InChIKey is MTINZXUQZAYDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33Cl2NO2/c23-17-15-19(21(26)20(24)16-17)22(27)25-18-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18/h15-16,18,26H,1-14H2,(H,25,27).
What are the key properties of 3,5-dichloro-N-cyclopentadecyl-2-hydroxybenzamide?
3,5-dichloro-N-cyclopentadecyl-2-hydroxybenzamide has a molecular weight of 414.42 g/mol, XLogP of 7.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-cyclopentadecyl-2-hydroxybenzamide is sourced from PubChem (CID 72547632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).