2-chloro-5-hydroxy-N-(4-methylpyrrolidin-3-yl)benzamide

C12H15ClN2O2 — CID 106500907

IUPAC2-chloro-5-hydroxy-N-(4-methylpyrrolidin-3-yl)benzamide
SMILESCC1CNCC1NC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C12H15ClN2O2/c1-7-5-14-6-11(7)15-12(17)9-4-8(16)2-3-10(9)13/h2-4,7,11,14,16H,5-6H2,1H3,(H,15,17)
InChIKeyZKQOBGMADXZZSP-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.38
Rot. Bonds2

About 2-chloro-5-hydroxy-N-(4-methylpyrrolidin-3-yl)benzamide

2-chloro-5-hydroxy-N-(4-methylpyrrolidin-3-yl)benzamide (PubChem CID 106500907) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-N-(4-methylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-hydroxy-N-(4-methylpyrrolidin-3-yl)benzamide
PubChem CID106500907
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-chloro-5-hydroxy-N-(4-methylpyrrolidin-3-yl)benzamide
SMILESCC1CNCC1NC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C12H15ClN2O2/c1-7-5-14-6-11(7)15-12(17)9-4-8(16)2-3-10(9)13/h2-4,7,11,14,16H,5-6H2,1H3,(H,15,17)
InChIKeyZKQOBGMADXZZSP-UHFFFAOYSA-N
XLogP1.38
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dihydroxy-N-(4-methylpyrrolidin-3-yl)benzamide
CID 107721876
2-hydroxy-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide
CID 113457521
2-chloro-N-(3-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide
CID 120553451
2-chloro-5-hydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 106502018
2-chloro-5-hydroxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107418935
5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 120557983
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-chloro-5-hydroxybenzamide
CID 106501584
2,5-dichloro-N-(2,3-dimethylcyclohexyl)benzamide
CID 43007916
3-methyl-N-(4-methylpyrrolidin-3-yl)furan-2-carboxamide
CID 104826170
3-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide
CID 113457504
2-chloro-5-hydroxy-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide
CID 106500916
2-bromo-5-chloro-N-(3-methylpiperidin-4-yl)benzamide
CID 120554233

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydroxy-N-(4-methylpyrrolidin-3-yl)benzamide?
The IUPAC name of 2-chloro-5-hydroxy-N-(4-methylpyrrolidin-3-yl)benzamide (CID 106500907) is 2-chloro-5-hydroxy-N-(4-methylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 2-chloro-5-hydroxy-N-(4-methylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 2-chloro-5-hydroxy-N-(4-methylpyrrolidin-3-yl)benzamide is CC1CNCC1NC(=O)c1cc(O)ccc1Cl.
What is the InChIKey of 2-chloro-5-hydroxy-N-(4-methylpyrrolidin-3-yl)benzamide?
The InChIKey is ZKQOBGMADXZZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-7-5-14-6-11(7)15-12(17)9-4-8(16)2-3-10(9)13/h2-4,7,11,14,16H,5-6H2,1H3,(H,15,17).
What are the key properties of 2-chloro-5-hydroxy-N-(4-methylpyrrolidin-3-yl)benzamide?
2-chloro-5-hydroxy-N-(4-methylpyrrolidin-3-yl)benzamide has a molecular weight of 254.72 g/mol, XLogP of 1.38, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydroxy-N-(4-methylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 106500907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).