N-[2-(3-carbamoylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride

C14H20ClN3O2 — CID 119770333

IUPACN-[2-(3-carbamoylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cccc(CCNC(=O)C2CCNC2)c1
InChIInChI=1S/C14H19N3O2.ClH/c15-13(18)11-3-1-2-10(8-11)4-7-17-14(19)12-5-6-16-9-12;/h1-3,8,12,16H,4-7,9H2,(H2,15,18)(H,17,19);1H
InChIKeyZPEJDCCVPHIMSL-UHFFFAOYSA-N
MW297.79 g/mol
LogP0.48
Rot. Bonds5

About N-[2-(3-carbamoylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride

N-[2-(3-carbamoylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119770333) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-[2-(3-carbamoylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-carbamoylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119770333
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC NameN-[2-(3-carbamoylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cccc(CCNC(=O)C2CCNC2)c1
InChIInChI=1S/C14H19N3O2.ClH/c15-13(18)11-3-1-2-10(8-11)4-7-17-14(19)12-5-6-16-9-12;/h1-3,8,12,16H,4-7,9H2,(H2,15,18)(H,17,19);1H
InChIKeyZPEJDCCVPHIMSL-UHFFFAOYSA-N
XLogP0.48
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63006996
N-[(3-carbamoylphenyl)methyl]piperidine-3-carboxamide
CID 61274140
3-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]benzamide;hydrochloride
CID 119770305
N-[2-(3-carbamoylphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119315844
9-amino-N-[2-(3-carbamoylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988653
(3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 28807337
N-[2-(3-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 43566290
(5S)-N-[2-(3-carbamoylphenyl)ethyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 138034327
3-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide;hydrochloride
CID 119770329
N-[2-(4-nitrophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119745885
3-[2-(cycloheptanecarbonylamino)ethyl]benzoic acid
CID 63795982
3-[2-(cyclohexanecarbonylamino)ethyl]benzoic acid
CID 63795104

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-carbamoylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3-carbamoylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119770333) is N-[2-(3-carbamoylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3-carbamoylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3-carbamoylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride is Cl.NC(=O)c1cccc(CCNC(=O)C2CCNC2)c1.
What is the InChIKey of N-[2-(3-carbamoylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is ZPEJDCCVPHIMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c15-13(18)11-3-1-2-10(8-11)4-7-17-14(19)12-5-6-16-9-12;/h1-3,8,12,16H,4-7,9H2,(H2,15,18)(H,17,19);1H.
What are the key properties of N-[2-(3-carbamoylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[2-(3-carbamoylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-carbamoylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119770333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).