N-[3-(4-chlorophenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride

C14H20Cl2N2O — CID 119312582

IUPACN-[3-(4-chlorophenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCc1ccc(Cl)cc1)C1CCCN1
InChIInChI=1S/C14H19ClN2O.ClH/c15-12-7-5-11(6-8-12)3-1-10-17-14(18)13-4-2-9-16-13;/h5-8,13,16H,1-4,9-10H2,(H,17,18);1H
InChIKeyCRDLJZCPLJILDA-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.56
Rot. Bonds5

About N-[3-(4-chlorophenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride

N-[3-(4-chlorophenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119312582) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119312582
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC NameN-[3-(4-chlorophenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCc1ccc(Cl)cc1)C1CCCN1
InChIInChI=1S/C14H19ClN2O.ClH/c15-12-7-5-11(6-8-12)3-1-10-17-14(18)13-4-2-9-16-13;/h5-8,13,16H,1-4,9-10H2,(H,17,18);1H
InChIKeyCRDLJZCPLJILDA-UHFFFAOYSA-N
XLogP2.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 11521840
(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 14234527
(2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263955
N-[3-(4-chlorophenyl)propyl]cyclopentanecarboxamide
CID 100733512
N-[3-(4-propan-2-ylphenyl)propyl]azetidine-2-carboxamide
CID 131951887
N-[3-(3,5-difluorophenyl)propyl]pyrrolidine-2-carboxamide
CID 91660203
N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119262908
N-[3-(4-chlorophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119764695
N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 166625589
N-[3-(4-chlorophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014408
(2S,4S)-N-[3-(4-chlorophenyl)propyl]-2-methylpiperidine-4-carboxamide
CID 120629610
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 176799707

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(4-chlorophenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119312582) is N-[3-(4-chlorophenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(4-chlorophenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(4-chlorophenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCCCc1ccc(Cl)cc1)C1CCCN1.
What is the InChIKey of N-[3-(4-chlorophenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is CRDLJZCPLJILDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O.ClH/c15-12-7-5-11(6-8-12)3-1-10-17-14(18)13-4-2-9-16-13;/h5-8,13,16H,1-4,9-10H2,(H,17,18);1H.
What are the key properties of N-[3-(4-chlorophenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[3-(4-chlorophenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 303.23 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119312582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).