2-chloro-5-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide

C17H16ClNO2 — CID 106501740

IUPAC2-chloro-5-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
SMILESO=C(NC1CCc2ccccc2C1)c1cc(O)ccc1Cl
InChIInChI=1S/C17H16ClNO2/c18-16-8-7-14(20)10-15(16)17(21)19-13-6-5-11-3-1-2-4-12(11)9-13/h1-4,7-8,10,13,20H,5-6,9H2,(H,19,21)
InChIKeyMSIBUZLWEOZYLK-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.33
Rot. Bonds2

About 2-chloro-5-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide

2-chloro-5-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide (PubChem CID 106501740) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
PubChem CID106501740
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name2-chloro-5-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
SMILESO=C(NC1CCc2ccccc2C1)c1cc(O)ccc1Cl
InChIInChI=1S/C17H16ClNO2/c18-16-8-7-14(20)10-15(16)17(21)19-13-6-5-11-3-1-2-4-12(11)9-13/h1-4,7-8,10,13,20H,5-6,9H2,(H,19,21)
InChIKeyMSIBUZLWEOZYLK-UHFFFAOYSA-N
XLogP3.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 103865106
2-chloro-5-(dimethylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 55339904
2-chloro-5-hydroxy-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide
CID 106500916
5-amino-2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 10493163
2-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 60630141
2-chloro-6-methyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide
CID 20872301
6-methyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carboxamide
CID 103717380
3,4-dihydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 103956267
2-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 11775776
2-chloro-4-fluoro-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide
CID 23509731
N-(2,3-dihydro-1H-inden-2-yl)-2-fluoro-4-hydroxybenzamide
CID 104694744
3,5-diamino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 62305417

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide?
The IUPAC name of 2-chloro-5-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide (CID 106501740) is 2-chloro-5-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide.
What is the SMILES notation for 2-chloro-5-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide?
The canonical SMILES for 2-chloro-5-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide is O=C(NC1CCc2ccccc2C1)c1cc(O)ccc1Cl.
What is the InChIKey of 2-chloro-5-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide?
The InChIKey is MSIBUZLWEOZYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c18-16-8-7-14(20)10-15(16)17(21)19-13-6-5-11-3-1-2-4-12(11)9-13/h1-4,7-8,10,13,20H,5-6,9H2,(H,19,21).
What are the key properties of 2-chloro-5-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide?
2-chloro-5-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide has a molecular weight of 301.77 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide is sourced from PubChem (CID 106501740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).