N-(2,5-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide

C13H16Cl2N2O2 — CID 115667783

IUPACN-(2,5-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)N1CCC(CCO)C1
InChIInChI=1S/C13H16Cl2N2O2/c14-10-1-2-11(15)12(7-10)16-13(19)17-5-3-9(8-17)4-6-18/h1-2,7,9,18H,3-6,8H2,(H,16,19)
InChIKeyPSUBFKRFNQNSPB-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.23
Rot. Bonds3

About N-(2,5-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide

N-(2,5-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide (PubChem CID 115667783) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
PubChem CID115667783
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC NameN-(2,5-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)N1CCC(CCO)C1
InChIInChI=1S/C13H16Cl2N2O2/c14-10-1-2-11(15)12(7-10)16-13(19)17-5-3-9(8-17)4-6-18/h1-2,7,9,18H,3-6,8H2,(H,16,19)
InChIKeyPSUBFKRFNQNSPB-UHFFFAOYSA-N
XLogP3.23
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-N-(2,5-dichlorophenyl)pyrrolidine-1-carboxamide
CID 113282412
N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 113241349
N-(2-chloro-5-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443203
2-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-methylbenzoic acid
CID 114799067
N-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 62356957
(2,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62371472
4-fluoro-2-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 114799068
4-bromo-3-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 107814374
(3-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746304
N-(2,5-dichlorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide
CID 114508481
(5-bromo-2-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 113268886
(3R)-N-[2-(4-chlorophenyl)-4-fluorophenyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 129393354

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide (CID 115667783) is N-(2,5-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)N1CCC(CCO)C1.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide?
The InChIKey is PSUBFKRFNQNSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c14-10-1-2-11(15)12(7-10)16-13(19)17-5-3-9(8-17)4-6-18/h1-2,7,9,18H,3-6,8H2,(H,16,19).
What are the key properties of N-(2,5-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide?
N-(2,5-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide has a molecular weight of 303.19 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 115667783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).