N-(2-chlorophenyl)-3-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide

C13H17ClN2O2 — CID 78963268

IUPACN-(2-chlorophenyl)-3-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
SMILESO=C(CCN1CC[C@@H](O)C1)Nc1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2/c14-11-3-1-2-4-12(11)15-13(18)6-8-16-7-5-10(17)9-16/h1-4,10,17H,5-9H2,(H,15,18)/t10-/m1/s1
InChIKeyQBCRFNXTIZABOF-SNVBAGLBSA-N
MW268.74 g/mol
LogP1.74
Rot. Bonds4

About N-(2-chlorophenyl)-3-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide

N-(2-chlorophenyl)-3-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide (PubChem CID 78963268) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
PubChem CID78963268
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-(2-chlorophenyl)-3-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
SMILESO=C(CCN1CC[C@@H](O)C1)Nc1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2/c14-11-3-1-2-4-12(11)15-13(18)6-8-16-7-5-10(17)9-16/h1-4,10,17H,5-9H2,(H,15,18)/t10-/m1/s1
InChIKeyQBCRFNXTIZABOF-SNVBAGLBSA-N
XLogP1.74
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichlorophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78962492
3-(4-aminopiperidin-1-yl)-N-(2-chlorophenyl)propanamide
CID 43556671
N-(2-chlorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145302
N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid
CID 171154554
N-(2-chlorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 740080
3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 1342605
N-(2-aminophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 16793627
ethyl (3S)-1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 771185
ethyl 1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 2902079
N-(2-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;oxalic acid
CID 171154563
N-(2-carbamothioylphenyl)-3-(3-hydroxypiperidin-1-yl)propanamide
CID 61434163
N-(2-chlorophenyl)-3-[4-(2-ethoxyphenoxy)piperidin-1-yl]propanamide
CID 47532727

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide (CID 78963268) is N-(2-chlorophenyl)-3-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide is O=C(CCN1CC[C@@H](O)C1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide?
The InChIKey is QBCRFNXTIZABOF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-11-3-1-2-4-12(11)15-13(18)6-8-16-7-5-10(17)9-16/h1-4,10,17H,5-9H2,(H,15,18)/t10-/m1/s1.
What are the key properties of N-(2-chlorophenyl)-3-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide?
N-(2-chlorophenyl)-3-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide has a molecular weight of 268.74 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide is sourced from PubChem (CID 78963268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).