N-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride

C13H18Cl2N2O2 — CID 119296053

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(Cl)cc1CNC(=O)C1CCCN1.Cl
InChIInChI=1S/C13H17ClN2O2.ClH/c1-18-12-5-4-10(14)7-9(12)8-16-13(17)11-3-2-6-15-11;/h4-5,7,11,15H,2-3,6,8H2,1H3,(H,16,17);1H
InChIKeyIZARINPEKXHYBL-UHFFFAOYSA-N
MW305.20 g/mol
LogP2.14
Rot. Bonds4

About N-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride

N-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119296053) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.20 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119296053
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.20 g/mol
Exact Mass304.07
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(Cl)cc1CNC(=O)C1CCCN1.Cl
InChIInChI=1S/C13H17ClN2O2.ClH/c1-18-12-5-4-10(14)7-9(12)8-16-13(17)11-3-2-6-15-11;/h4-5,7,11,15H,2-3,6,8H2,1H3,(H,16,17);1H
InChIKeyIZARINPEKXHYBL-UHFFFAOYSA-N
XLogP2.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 103808409
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 71985278
N-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119263557
N-[(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119279585
(2S)-N-[[5-chloro-2-[2,2-difluoro-2-(4-methoxyanilino)ethyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 70072196
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 119316734
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119334414
N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119263802
(2S)-N-[(3-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 166226032
N-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide
CID 63795889
trans-(1S,2S)-2-[(5-chloro-2-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131515
N-[(2-methoxynaphthalen-1-yl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119281586

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119296053) is N-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride is COc1ccc(Cl)cc1CNC(=O)C1CCCN1.Cl.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is IZARINPEKXHYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2.ClH/c1-18-12-5-4-10(14)7-9(12)8-16-13(17)11-3-2-6-15-11;/h4-5,7,11,15H,2-3,6,8H2,1H3,(H,16,17);1H.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 305.20 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119296053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).