N-(5-chloro-2-ethoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide

C13H17ClN2O3 — CID 54862651

IUPACN-(5-chloro-2-ethoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESCCOc1ccc(Cl)cc1NC(=O)C1CC(O)CN1
InChIInChI=1S/C13H17ClN2O3/c1-2-19-12-4-3-8(14)5-10(12)16-13(18)11-6-9(17)7-15-11/h3-5,9,11,15,17H,2,6-7H2,1H3,(H,16,18)
InChIKeyZFFLKQNOLWMAOX-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.40
Rot. Bonds4

About N-(5-chloro-2-ethoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide

N-(5-chloro-2-ethoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 54862651) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is N-(5-chloro-2-ethoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-ethoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID54862651
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC NameN-(5-chloro-2-ethoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESCCOc1ccc(Cl)cc1NC(=O)C1CC(O)CN1
InChIInChI=1S/C13H17ClN2O3/c1-2-19-12-4-3-8(14)5-10(12)16-13(18)11-6-9(17)7-15-11/h3-5,9,11,15,17H,2,6-7H2,1H3,(H,16,18)
InChIKeyZFFLKQNOLWMAOX-UHFFFAOYSA-N
XLogP1.40
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-ethoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 54862536
N-(5-chloro-2-ethoxyphenyl)pyrrolidine-3-carboxamide
CID 63005433
N-(5-chloro-2-ethoxyphenyl)piperidine-4-carboxamide
CID 54862625
N-(5-chloro-2-propoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 54862385
N-(5-acetamido-2-methoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43707822
N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43703764
N-(5-chloro-2-ethoxyphenyl)butanamide
CID 61062519
(2S,4R)-N-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124587806
(2R,4R)-N-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124587807
methyl 4-fluoro-3-[(4-hydroxypyrrolidine-2-carbonyl)amino]benzoate
CID 43703157
N-(5-chloro-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 61364064
N-(5-chloro-2-ethoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 54862706

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-ethoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-ethoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide (CID 54862651) is N-(5-chloro-2-ethoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-ethoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-ethoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide is CCOc1ccc(Cl)cc1NC(=O)C1CC(O)CN1.
What is the InChIKey of N-(5-chloro-2-ethoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is ZFFLKQNOLWMAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-2-19-12-4-3-8(14)5-10(12)16-13(18)11-6-9(17)7-15-11/h3-5,9,11,15,17H,2,6-7H2,1H3,(H,16,18).
What are the key properties of N-(5-chloro-2-ethoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide?
N-(5-chloro-2-ethoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 284.74 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-ethoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 54862651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).