1-(2-chloro-3-hydroxyphenyl)pyrrolidine-3-carboxamide

C11H13ClN2O2 — CID 77230471

IUPAC1-(2-chloro-3-hydroxyphenyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2cccc(O)c2Cl)C1
InChIInChI=1S/C11H13ClN2O2/c12-10-8(2-1-3-9(10)15)14-5-4-7(6-14)11(13)16/h1-3,7,15H,4-6H2,(H2,13,16)
InChIKeyLYKYOJFPAKFVBZ-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.36
Rot. Bonds2

About 1-(2-chloro-3-hydroxyphenyl)pyrrolidine-3-carboxamide

1-(2-chloro-3-hydroxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 77230471) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 1-(2-chloro-3-hydroxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-3-hydroxyphenyl)pyrrolidine-3-carboxamide
PubChem CID77230471
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name1-(2-chloro-3-hydroxyphenyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2cccc(O)c2Cl)C1
InChIInChI=1S/C11H13ClN2O2/c12-10-8(2-1-3-9(10)15)14-5-4-7(6-14)11(13)16/h1-3,7,15H,4-6H2,(H2,13,16)
InChIKeyLYKYOJFPAKFVBZ-UHFFFAOYSA-N
XLogP1.36
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxy-2-methylphenyl)pyrrolidine-3-carboxamide
CID 86258408
1-(3-hydroxy-2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 86258315
1-(6-chloro-2-pyridinyl)pyrrolidine-3-carboxamide
CID 107257847
1-(3-chloro-2-formylphenyl)piperidine-4-carboxamide
CID 28603686
(3S)-1-(2-acetyl-3-fluorophenyl)pyrrolidine-3-carboxamide
CID 94434168
1-(3,5-dichlorophenyl)pyrrolidine-3-carboxamide
CID 117008210
(3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 97013871
1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 117008187
1-(1H-pyrrol-2-yl)pyrrolidine-3-carboxamide
CID 122445937
1-(3-chloro-4-methylphenyl)pyrrolidine-3-carboxamide
CID 117008174
(3S)-1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carboxamide
CID 45275778
2-chloro-6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide
CID 115314662

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-hydroxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-chloro-3-hydroxyphenyl)pyrrolidine-3-carboxamide (CID 77230471) is 1-(2-chloro-3-hydroxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-chloro-3-hydroxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-chloro-3-hydroxyphenyl)pyrrolidine-3-carboxamide is NC(=O)C1CCN(c2cccc(O)c2Cl)C1.
What is the InChIKey of 1-(2-chloro-3-hydroxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is LYKYOJFPAKFVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-10-8(2-1-3-9(10)15)14-5-4-7(6-14)11(13)16/h1-3,7,15H,4-6H2,(H2,13,16).
What are the key properties of 1-(2-chloro-3-hydroxyphenyl)pyrrolidine-3-carboxamide?
1-(2-chloro-3-hydroxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 240.69 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-hydroxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 77230471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).