N-[3-(4-chlorophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide

C14H19ClN2O2 — CID 119764695

IUPACN-[3-(4-chlorophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCCCc1ccc(Cl)cc1)C1CC(O)CN1
InChIInChI=1S/C14H19ClN2O2/c15-11-5-3-10(4-6-11)2-1-7-16-14(19)13-8-12(18)9-17-13/h3-6,12-13,17-18H,1-2,7-9H2,(H,16,19)
InChIKeyRLSSTJXLJKJDTB-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.11
Rot. Bonds5

About N-[3-(4-chlorophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide

N-[3-(4-chlorophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 119764695) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID119764695
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-[3-(4-chlorophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCCCc1ccc(Cl)cc1)C1CC(O)CN1
InChIInChI=1S/C14H19ClN2O2/c15-11-5-3-10(4-6-11)2-1-7-16-14(19)13-8-12(18)9-17-13/h3-6,12-13,17-18H,1-2,7-9H2,(H,16,19)
InChIKeyRLSSTJXLJKJDTB-UHFFFAOYSA-N
XLogP1.11
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-[4-(4-nitrophenyl)butyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119778305
N-[3-(4-chlorophenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119312582
(2S,4R)-N-[2-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125153528
N-[3-(4-chlorophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014408
N-[3-(4-chlorophenyl)propyl]cyclopentanecarboxamide
CID 100733512
(2R,4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28943713
(2S,4S)-N-[3-(4-chlorophenyl)propyl]-2-methylpiperidine-4-carboxamide
CID 120629610
4-hydroxy-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 119778712
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119900770
(3R,4R)-3-N,4-N-bis[2-(4-chlorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 154961412
4-hydroxy-N-octylpyrrolidine-2-carboxamide
CID 113337253
4-hydroxy-N-(3-phenoxypropyl)pyrrolidine-2-carboxamide
CID 62378948

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(4-chlorophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide (CID 119764695) is N-[3-(4-chlorophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(4-chlorophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide is O=C(NCCCc1ccc(Cl)cc1)C1CC(O)CN1.
What is the InChIKey of N-[3-(4-chlorophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is RLSSTJXLJKJDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-11-5-3-10(4-6-11)2-1-7-16-14(19)13-8-12(18)9-17-13/h3-6,12-13,17-18H,1-2,7-9H2,(H,16,19).
What are the key properties of N-[3-(4-chlorophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide?
N-[3-(4-chlorophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 119764695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).