5-chloro-N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)benzamide

C14H17ClN2O2 — CID 60654559

IUPAC5-chloro-N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CCC#N)C(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C14H17ClN2O2/c1-10(2)9-17(7-3-6-16)14(19)12-8-11(15)4-5-13(12)18/h4-5,8,10,18H,3,7,9H2,1-2H3
InChIKeyDBOGKRUZWJQFFJ-UHFFFAOYSA-N
MW280.75 g/mol
LogP3.06
Rot. Bonds5

About 5-chloro-N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)benzamide

5-chloro-N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)benzamide (PubChem CID 60654559) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 5-chloro-N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name5-chloro-N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)benzamide
PubChem CID60654559
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name5-chloro-N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CCC#N)C(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C14H17ClN2O2/c1-10(2)9-17(7-3-6-16)14(19)12-8-11(15)4-5-13(12)18/h4-5,8,10,18H,3,7,9H2,1-2H3
InChIKeyDBOGKRUZWJQFFJ-UHFFFAOYSA-N
XLogP3.06
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-2-hydroxy-5-methoxy-N-(2-methylpropyl)benzamide
CID 60715659
2-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)-5-sulfanylbenzamide
CID 107026865
4-bromo-N-(2-cyanoethyl)-2-fluoro-N-(2-methylpropyl)benzamide
CID 60699445
2,5-dichloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114917914
2-amino-5-chloro-N,N-bis(2-cyanoethyl)benzamide
CID 61114600
4-chloro-N-(2-cyanoethyl)-2-hydroxy-N-propan-2-ylbenzamide
CID 54997017
2-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzamide
CID 60654639
5-amino-N-(2-cyanoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide
CID 61115858
4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methylpropyl)benzamide
CID 107074624
2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methylpropyl)benzamide
CID 62662075
5-chloro-N-(2-cyanoethyl)-2-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114922574
2-amino-6-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 62162054

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)benzamide?
The IUPAC name of 5-chloro-N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)benzamide (CID 60654559) is 5-chloro-N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 5-chloro-N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)benzamide?
The canonical SMILES for 5-chloro-N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)benzamide is CC(C)CN(CCC#N)C(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)benzamide?
The InChIKey is DBOGKRUZWJQFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-10(2)9-17(7-3-6-16)14(19)12-8-11(15)4-5-13(12)18/h4-5,8,10,18H,3,7,9H2,1-2H3.
What are the key properties of 5-chloro-N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)benzamide?
5-chloro-N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)benzamide has a molecular weight of 280.75 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 60654559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).