5-tert-butyl-N-(2-chloro-4-cyanophenyl)-2-hydroxybenzamide

C18H17ClN2O2 — CID 86273414

IUPAC5-tert-butyl-N-(2-chloro-4-cyanophenyl)-2-hydroxybenzamide
SMILESCC(C)(C)c1ccc(O)c(C(=O)Nc2ccc(C#N)cc2Cl)c1
InChIInChI=1S/C18H17ClN2O2/c1-18(2,3)12-5-7-16(22)13(9-12)17(23)21-15-6-4-11(10-20)8-14(15)19/h4-9,22H,1-3H3,(H,21,23)
InChIKeyVSICEUYYJNDDRM-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.47
Rot. Bonds2

About 5-tert-butyl-N-(2-chloro-4-cyanophenyl)-2-hydroxybenzamide

5-tert-butyl-N-(2-chloro-4-cyanophenyl)-2-hydroxybenzamide (PubChem CID 86273414) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 5-tert-butyl-N-(2-chloro-4-cyanophenyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-tert-butyl-N-(2-chloro-4-cyanophenyl)-2-hydroxybenzamide
PubChem CID86273414
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name5-tert-butyl-N-(2-chloro-4-cyanophenyl)-2-hydroxybenzamide
SMILESCC(C)(C)c1ccc(O)c(C(=O)Nc2ccc(C#N)cc2Cl)c1
InChIInChI=1S/C18H17ClN2O2/c1-18(2,3)12-5-7-16(22)13(9-12)17(23)21-15-6-4-11(10-20)8-14(15)19/h4-9,22H,1-3H3,(H,21,23)
InChIKeyVSICEUYYJNDDRM-UHFFFAOYSA-N
XLogP4.47
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799731
N-(2-chloro-4-cyanophenyl)-2,6-dihydroxybenzamide
CID 107808194
N-(2-chloro-4-cyanophenyl)-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide
CID 167080575
N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
CID 103799806
3-chloro-N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
CID 107143579
4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799745
N-(2-chloro-4-cyanophenyl)-2-fluoro-3-methylbenzamide
CID 103811028
2-amino-4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 107806873
3-(2,2-dimethylpropanoyl)-4-hydroxybenzonitrile
CID 130034806
5-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide
CID 103811217
4-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide
CID 103811009
N-(2-chloro-4-cyanophenyl)-5-hydroxypyridine-3-carboxamide
CID 107808799

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(2-chloro-4-cyanophenyl)-2-hydroxybenzamide?
The IUPAC name of 5-tert-butyl-N-(2-chloro-4-cyanophenyl)-2-hydroxybenzamide (CID 86273414) is 5-tert-butyl-N-(2-chloro-4-cyanophenyl)-2-hydroxybenzamide.
What is the SMILES notation for 5-tert-butyl-N-(2-chloro-4-cyanophenyl)-2-hydroxybenzamide?
The canonical SMILES for 5-tert-butyl-N-(2-chloro-4-cyanophenyl)-2-hydroxybenzamide is CC(C)(C)c1ccc(O)c(C(=O)Nc2ccc(C#N)cc2Cl)c1.
What is the InChIKey of 5-tert-butyl-N-(2-chloro-4-cyanophenyl)-2-hydroxybenzamide?
The InChIKey is VSICEUYYJNDDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-18(2,3)12-5-7-16(22)13(9-12)17(23)21-15-6-4-11(10-20)8-14(15)19/h4-9,22H,1-3H3,(H,21,23).
What are the key properties of 5-tert-butyl-N-(2-chloro-4-cyanophenyl)-2-hydroxybenzamide?
5-tert-butyl-N-(2-chloro-4-cyanophenyl)-2-hydroxybenzamide has a molecular weight of 328.80 g/mol, XLogP of 4.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(2-chloro-4-cyanophenyl)-2-hydroxybenzamide is sourced from PubChem (CID 86273414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).