N-[2,3-dihydroxy-5-(4-methylphenyl)cyclopentyl]benzamide

C19H21NO3 — CID 78150918

IUPACN-[2,3-dihydroxy-5-(4-methylphenyl)cyclopentyl]benzamide
SMILESCc1ccc(C2CC(O)C(O)C2NC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H21NO3/c1-12-7-9-13(10-8-12)15-11-16(21)18(22)17(15)20-19(23)14-5-3-2-4-6-14/h2-10,15-18,21-22H,11H2,1H3,(H,20,23)
InChIKeyKUALOQDEAMDNIC-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.00
Rot. Bonds3

About N-[2,3-dihydroxy-5-(4-methylphenyl)cyclopentyl]benzamide

N-[2,3-dihydroxy-5-(4-methylphenyl)cyclopentyl]benzamide (PubChem CID 78150918) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[2,3-dihydroxy-5-(4-methylphenyl)cyclopentyl]benzamide.

Molecular Properties

Compound NameN-[2,3-dihydroxy-5-(4-methylphenyl)cyclopentyl]benzamide
PubChem CID78150918
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-[2,3-dihydroxy-5-(4-methylphenyl)cyclopentyl]benzamide
SMILESCc1ccc(C2CC(O)C(O)C2NC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H21NO3/c1-12-7-9-13(10-8-12)15-11-16(21)18(22)17(15)20-19(23)14-5-3-2-4-6-14/h2-10,15-18,21-22H,11H2,1H3,(H,20,23)
InChIKeyKUALOQDEAMDNIC-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-4-methoxybenzamide
CID 71693937
N-(2,3-dihydroxy-5-phenylcyclopentyl)-1,5-dimethylpyrazole-3-carboxamide
CID 78150960
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]acetamide
CID 71693936
N-[(1S,2S,3R,5S)-2,3-dihydroxy-5-(hydroxycarbamoyl)cyclopentyl]-4-methylbenzamide
CID 59876340
3-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]benzamide
CID 71693954
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]pyrimidine-5-carboxamide
CID 71693775
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
N-[(1S,2S,3R,6S)-2,3-dihydroxy-6-(hydroxycarbamoyl)cyclohexyl]-4-methylbenzamide
CID 59876366
N-(2-hydroxycyclopropyl)benzamide
CID 175468011
2-(4-methylphenyl)cyclopropane-1-carboxylic acid
CID 23423017
N-[2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-1,2-oxazole-5-carboxamide
CID 78150994
N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]benzamide
CID 137348171

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydroxy-5-(4-methylphenyl)cyclopentyl]benzamide?
The IUPAC name of N-[2,3-dihydroxy-5-(4-methylphenyl)cyclopentyl]benzamide (CID 78150918) is N-[2,3-dihydroxy-5-(4-methylphenyl)cyclopentyl]benzamide.
What is the SMILES notation for N-[2,3-dihydroxy-5-(4-methylphenyl)cyclopentyl]benzamide?
The canonical SMILES for N-[2,3-dihydroxy-5-(4-methylphenyl)cyclopentyl]benzamide is Cc1ccc(C2CC(O)C(O)C2NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2,3-dihydroxy-5-(4-methylphenyl)cyclopentyl]benzamide?
The InChIKey is KUALOQDEAMDNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-12-7-9-13(10-8-12)15-11-16(21)18(22)17(15)20-19(23)14-5-3-2-4-6-14/h2-10,15-18,21-22H,11H2,1H3,(H,20,23).
What are the key properties of N-[2,3-dihydroxy-5-(4-methylphenyl)cyclopentyl]benzamide?
N-[2,3-dihydroxy-5-(4-methylphenyl)cyclopentyl]benzamide has a molecular weight of 311.38 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydroxy-5-(4-methylphenyl)cyclopentyl]benzamide is sourced from PubChem (CID 78150918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).