N-(3-chloro-6-hydroxy-2-pyrrolidin-3-ylphenyl)acetamide

C12H15ClN2O2 — CID 117390061

IUPACN-(3-chloro-6-hydroxy-2-pyrrolidin-3-ylphenyl)acetamide
SMILESCC(=O)Nc1c(O)ccc(Cl)c1C1CCNC1
InChIInChI=1S/C12H15ClN2O2/c1-7(16)15-12-10(17)3-2-9(13)11(12)8-4-5-14-6-8/h2-3,8,14,17H,4-6H2,1H3,(H,15,16)
InChIKeyMPMBGBVLKNJASM-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.08
Rot. Bonds2

About N-(3-chloro-6-hydroxy-2-pyrrolidin-3-ylphenyl)acetamide

N-(3-chloro-6-hydroxy-2-pyrrolidin-3-ylphenyl)acetamide (PubChem CID 117390061) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is N-(3-chloro-6-hydroxy-2-pyrrolidin-3-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-6-hydroxy-2-pyrrolidin-3-ylphenyl)acetamide
PubChem CID117390061
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC NameN-(3-chloro-6-hydroxy-2-pyrrolidin-3-ylphenyl)acetamide
SMILESCC(=O)Nc1c(O)ccc(Cl)c1C1CCNC1
InChIInChI=1S/C12H15ClN2O2/c1-7(16)15-12-10(17)3-2-9(13)11(12)8-4-5-14-6-8/h2-3,8,14,17H,4-6H2,1H3,(H,15,16)
InChIKeyMPMBGBVLKNJASM-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
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

5'-Chloro-2'-hydroxy-P-acetotoluidide
CID 3647459
5-Chloro-1,2,3,4-tetrahydroquinolin-8-ol
CID 6485776
5-Chloro-8-hydroxyquinolone
CID 59397977
5-Chloro-1,2,3,4-tetrahydroquinolin-8-ol;hydrochloride
CID 20269056
4-chloro-2,3-dihydro-1H-indol-7-ol
CID 84653626
Methyl 2-(3-chloro-6-hydroxy-2-methylanilino)acetate
CID 149917478
2-anilino-N-(5-chloro-2-hydroxy-4-methylphenyl)acetamide
CID 154108747
N-[(5-chloro-8-hydroxy-1,2-dihydroquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]acetamide
CID 166727846
N-[(5-chloro-8-hydroxy-1,2-dihydroquinolin-7-yl)-(4-methylcyclohexa-1,5-dien-1-yl)methyl]propanamide
CID 166728202
5-Chloro-1,4-dihydroquinolin-8-ol
CID 174223573
4-Chloro-2-(ethylamino)-3,5-dimethylphenol
CID 82265403
4-Chloro-3-methyl-2-piperazin-1-ylphenol
CID 84791178

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-6-hydroxy-2-pyrrolidin-3-ylphenyl)acetamide?
The IUPAC name of N-(3-chloro-6-hydroxy-2-pyrrolidin-3-ylphenyl)acetamide (CID 117390061) is N-(3-chloro-6-hydroxy-2-pyrrolidin-3-ylphenyl)acetamide.
What is the SMILES notation for N-(3-chloro-6-hydroxy-2-pyrrolidin-3-ylphenyl)acetamide?
The canonical SMILES for N-(3-chloro-6-hydroxy-2-pyrrolidin-3-ylphenyl)acetamide is CC(=O)Nc1c(O)ccc(Cl)c1C1CCNC1.
What is the InChIKey of N-(3-chloro-6-hydroxy-2-pyrrolidin-3-ylphenyl)acetamide?
The InChIKey is MPMBGBVLKNJASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-7(16)15-12-10(17)3-2-9(13)11(12)8-4-5-14-6-8/h2-3,8,14,17H,4-6H2,1H3,(H,15,16).
What are the key properties of N-(3-chloro-6-hydroxy-2-pyrrolidin-3-ylphenyl)acetamide?
N-(3-chloro-6-hydroxy-2-pyrrolidin-3-ylphenyl)acetamide has a molecular weight of 254.72 g/mol, XLogP of 2.08, 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-pyrrolidin-3-ylphenyl)acetamide is sourced from PubChem (CID 117390061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).