4-hydroxy-N-[6-(1-hydroxyethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide

C19H21NO3 — CID 123242352

IUPAC4-hydroxy-N-[6-(1-hydroxyethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
SMILESCC(O)c1ccc2c(c1)CCC(NC(=O)c1ccc(O)cc1)C2
InChIInChI=1S/C19H21NO3/c1-12(21)14-2-3-16-11-17(7-4-15(16)10-14)20-19(23)13-5-8-18(22)9-6-13/h2-3,5-6,8-10,12,17,21-22H,4,7,11H2,1H3,(H,20,23)
InChIKeyHYFBKGRPFJIOLO-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.73
Rot. Bonds3

About 4-hydroxy-N-[6-(1-hydroxyethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide

4-hydroxy-N-[6-(1-hydroxyethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide (PubChem CID 123242352) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-hydroxy-N-[6-(1-hydroxyethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[6-(1-hydroxyethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
PubChem CID123242352
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name4-hydroxy-N-[6-(1-hydroxyethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
SMILESCC(O)c1ccc2c(c1)CCC(NC(=O)c1ccc(O)cc1)C2
InChIInChI=1S/C19H21NO3/c1-12(21)14-2-3-16-11-17(7-4-15(16)10-14)20-19(23)13-5-8-18(22)9-6-13/h2-3,5-6,8-10,12,17,21-22H,4,7,11H2,1H3,(H,20,23)
InChIKeyHYFBKGRPFJIOLO-UHFFFAOYSA-N
XLogP2.73
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybenzamide
CID 104694730
3,4-dihydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 103956267
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methoxybenzamide
CID 66663510
N-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 10065196
3-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,1-dimethylurea
CID 127034559
3-[(dimethylamino)methyl]-N-[6-(1-nitrosoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(trifluoromethyl)benzamide
CID 123382792
4-hydroxy-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 103865106
4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
CID 1001424
N-[(2S)-6-[(1R)-1-[bis(cyclopentylmethyl)amino]ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 59506030
2,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinoxaline-6-carboxamide
CID 71902026
4-(4-hydroxyphenyl)-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 18475734
3,5-diamino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 62305417

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[6-(1-hydroxyethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The IUPAC name of 4-hydroxy-N-[6-(1-hydroxyethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide (CID 123242352) is 4-hydroxy-N-[6-(1-hydroxyethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide.
What is the SMILES notation for 4-hydroxy-N-[6-(1-hydroxyethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The canonical SMILES for 4-hydroxy-N-[6-(1-hydroxyethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide is CC(O)c1ccc2c(c1)CCC(NC(=O)c1ccc(O)cc1)C2.
What is the InChIKey of 4-hydroxy-N-[6-(1-hydroxyethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The InChIKey is HYFBKGRPFJIOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-12(21)14-2-3-16-11-17(7-4-15(16)10-14)20-19(23)13-5-8-18(22)9-6-13/h2-3,5-6,8-10,12,17,21-22H,4,7,11H2,1H3,(H,20,23).
What are the key properties of 4-hydroxy-N-[6-(1-hydroxyethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
4-hydroxy-N-[6-(1-hydroxyethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide has a molecular weight of 311.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[6-(1-hydroxyethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide is sourced from PubChem (CID 123242352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).