N-[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]-5-hydroxypentanamide

C15H21ClN2O2 — CID 97255932

IUPACN-[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]-5-hydroxypentanamide
SMILESO=C(CCCCO)N[C@H]1CCN(c2cccc(Cl)c2)C1
InChIInChI=1S/C15H21ClN2O2/c16-12-4-3-5-14(10-12)18-8-7-13(11-18)17-15(20)6-1-2-9-19/h3-5,10,13,19H,1-2,6-9,11H2,(H,17,20)/t13-/m0/s1
InChIKeyLHMHFEITECXRIV-ZDUSSCGKSA-N
MW296.80 g/mol
LogP2.20
Rot. Bonds6

About N-[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]-5-hydroxypentanamide

N-[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]-5-hydroxypentanamide (PubChem CID 97255932) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]-5-hydroxypentanamide.

Molecular Properties

Compound NameN-[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]-5-hydroxypentanamide
PubChem CID97255932
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]-5-hydroxypentanamide
SMILESO=C(CCCCO)N[C@H]1CCN(c2cccc(Cl)c2)C1
InChIInChI=1S/C15H21ClN2O2/c16-12-4-3-5-14(10-12)18-8-7-13(11-18)17-15(20)6-1-2-9-19/h3-5,10,13,19H,1-2,6-9,11H2,(H,17,20)/t13-/m0/s1
InChIKeyLHMHFEITECXRIV-ZDUSSCGKSA-N
XLogP2.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-4-hydroxybutanamide
CID 110480296
5-oxo-5-[(1-phenylpyrrolidin-3-yl)amino]pentanoic acid
CID 110482682
7-amino-N-(1-phenylpyrrolidin-3-yl)heptanamide
CID 119861676
N-(1-phenylpyrrolidin-3-yl)pentanamide
CID 110479420
1-[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]-3-(2,2-difluoroethyl)urea
CID 124608563
N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119899530
1-[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]-3-(2,2-difluoroethyl)urea
CID 124608564
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-ethyl-2-(2-hydroxyethyl)guanidine;hydroiodide
CID 109463461
(2S)-2-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-4-methylpentanamide;dihydrochloride
CID 119899554
3-[[1-(3-chlorophenyl)pyrrolidin-3-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 119149291
5-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methylbenzamide;dihydrochloride
CID 120647736
1-[4-(3-chlorophenyl)piperazin-1-yl]-5-hydroxypentan-1-one
CID 79016503

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]-5-hydroxypentanamide?
The IUPAC name of N-[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]-5-hydroxypentanamide (CID 97255932) is N-[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]-5-hydroxypentanamide.
What is the SMILES notation for N-[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]-5-hydroxypentanamide?
The canonical SMILES for N-[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]-5-hydroxypentanamide is O=C(CCCCO)N[C@H]1CCN(c2cccc(Cl)c2)C1.
What is the InChIKey of N-[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]-5-hydroxypentanamide?
The InChIKey is LHMHFEITECXRIV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c16-12-4-3-5-14(10-12)18-8-7-13(11-18)17-15(20)6-1-2-9-19/h3-5,10,13,19H,1-2,6-9,11H2,(H,17,20)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]-5-hydroxypentanamide?
N-[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]-5-hydroxypentanamide has a molecular weight of 296.80 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]-5-hydroxypentanamide is sourced from PubChem (CID 97255932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).