N-[3-chloro-6-hydroxy-2-(2-methylpyrrolidin-2-yl)phenyl]acetamide

C13H17ClN2O2 — CID 117425251

IUPACN-[3-chloro-6-hydroxy-2-(2-methylpyrrolidin-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1c(O)ccc(Cl)c1C1(C)CCCN1
InChIInChI=1S/C13H17ClN2O2/c1-8(17)16-12-10(18)5-4-9(14)11(12)13(2)6-3-7-15-13/h4-5,15,18H,3,6-7H2,1-2H3,(H,16,17)
InChIKeyGECSBFZTPBKXPD-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.60
Rot. Bonds2

About N-[3-chloro-6-hydroxy-2-(2-methylpyrrolidin-2-yl)phenyl]acetamide

N-[3-chloro-6-hydroxy-2-(2-methylpyrrolidin-2-yl)phenyl]acetamide (PubChem CID 117425251) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-[3-chloro-6-hydroxy-2-(2-methylpyrrolidin-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-6-hydroxy-2-(2-methylpyrrolidin-2-yl)phenyl]acetamide
PubChem CID117425251
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-[3-chloro-6-hydroxy-2-(2-methylpyrrolidin-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1c(O)ccc(Cl)c1C1(C)CCCN1
InChIInChI=1S/C13H17ClN2O2/c1-8(17)16-12-10(18)5-4-9(14)11(12)13(2)6-3-7-15-13/h4-5,15,18H,3,6-7H2,1-2H3,(H,16,17)
InChIKeyGECSBFZTPBKXPD-UHFFFAOYSA-N
XLogP2.60
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[3-bromo-6-hydroxy-2-(2-methylpyrrolidin-2-yl)phenyl]acetamide
CID 117498498
N-[2-[1-(aminomethyl)cyclopropyl]-3-chloro-6-hydroxyphenyl]acetamide
CID 117389843
3-chloro-6-methoxy-2-(2-methylpyrrolidin-2-yl)phenol
CID 117356265
2-(3-chloro-2,6-difluorophenyl)-2-methylpyrrolidine
CID 117335369
2-chloro-4-(2-methylpyrrolidin-2-yl)-5-(trifluoromethyl)phenol
CID 117448659
3-chloro-5-methyl-4-(2-methylpyrrolidin-2-yl)benzene-1,2-diol
CID 117356258
N-(3-chloro-6-hydroxy-2-pyrrolidin-3-ylphenyl)acetamide
CID 117390061
N-[2-(1-aminocyclobutyl)-3-bromo-6-hydroxyphenyl]acetamide
CID 117481901
3,4-dimethoxy-2-(2-methylpyrrolidin-2-yl)phenol
CID 117347144
6-methyl-2-(2-methylpyrrolidin-2-yl)-3-methylsulfanylphenol
CID 117347875
2-(4-chloro-3-methylphenyl)-2-methylpyrrolidine
CID 117299725
N-(3-chloro-4-hydroxyphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 107679774

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-6-hydroxy-2-(2-methylpyrrolidin-2-yl)phenyl]acetamide?
The IUPAC name of N-[3-chloro-6-hydroxy-2-(2-methylpyrrolidin-2-yl)phenyl]acetamide (CID 117425251) is N-[3-chloro-6-hydroxy-2-(2-methylpyrrolidin-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-chloro-6-hydroxy-2-(2-methylpyrrolidin-2-yl)phenyl]acetamide?
The canonical SMILES for N-[3-chloro-6-hydroxy-2-(2-methylpyrrolidin-2-yl)phenyl]acetamide is CC(=O)Nc1c(O)ccc(Cl)c1C1(C)CCCN1.
What is the InChIKey of N-[3-chloro-6-hydroxy-2-(2-methylpyrrolidin-2-yl)phenyl]acetamide?
The InChIKey is GECSBFZTPBKXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-8(17)16-12-10(18)5-4-9(14)11(12)13(2)6-3-7-15-13/h4-5,15,18H,3,6-7H2,1-2H3,(H,16,17).
What are the key properties of N-[3-chloro-6-hydroxy-2-(2-methylpyrrolidin-2-yl)phenyl]acetamide?
N-[3-chloro-6-hydroxy-2-(2-methylpyrrolidin-2-yl)phenyl]acetamide has a molecular weight of 268.74 g/mol, XLogP of 2.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-6-hydroxy-2-(2-methylpyrrolidin-2-yl)phenyl]acetamide is sourced from PubChem (CID 117425251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).