N-(3,5-dichloro-4-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride

C12H15Cl3N2O2 — CID 119312729

IUPACN-(3,5-dichloro-4-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1c(Cl)cc(NC(=O)C2CCCN2)cc1Cl.Cl
InChIInChI=1S/C12H14Cl2N2O2.ClH/c1-18-11-8(13)5-7(6-9(11)14)16-12(17)10-3-2-4-15-10;/h5-6,10,15H,2-4H2,1H3,(H,16,17);1H
InChIKeyGOODKQDHQBEUGE-UHFFFAOYSA-N
MW325.62 g/mol
LogP3.11
Rot. Bonds3

About N-(3,5-dichloro-4-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride

N-(3,5-dichloro-4-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119312729) has the molecular formula C12H15Cl3N2O2 and a molecular weight of 325.62 g/mol. Its IUPAC name is N-(3,5-dichloro-4-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3,5-dichloro-4-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119312729
Molecular FormulaC12H15Cl3N2O2
Molecular Weight325.62 g/mol
Exact Mass324.02
IUPAC NameN-(3,5-dichloro-4-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1c(Cl)cc(NC(=O)C2CCCN2)cc1Cl.Cl
InChIInChI=1S/C12H14Cl2N2O2.ClH/c1-18-11-8(13)5-7(6-9(11)14)16-12(17)10-3-2-4-15-10;/h5-6,10,15H,2-4H2,1H3,(H,16,17);1H
InChIKeyGOODKQDHQBEUGE-UHFFFAOYSA-N
XLogP3.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.62
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dichloro-4-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 107680422
(2S)-N-(3,4,5-trimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119671461
(2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 67505940
N-(2-chloro-4,5-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 43233979
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
(2S)-N-(3-bromo-5-methoxyphenyl)pyrrolidine-2-carboxamide
CID 82867240
N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119262099
N-(4-chloro-3-methoxyphenyl)azepane-2-carboxamide
CID 107621689
dimethyl 5-(piperidine-2-carbonylamino)benzene-1,3-dicarboxylate;hydrochloride
CID 119263110
N-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281092
(2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 107574285
methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate
CID 43712644

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(3,5-dichloro-4-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride (CID 119312729) is N-(3,5-dichloro-4-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3,5-dichloro-4-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3,5-dichloro-4-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride is COc1c(Cl)cc(NC(=O)C2CCCN2)cc1Cl.Cl.
What is the InChIKey of N-(3,5-dichloro-4-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is GOODKQDHQBEUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2.ClH/c1-18-11-8(13)5-7(6-9(11)14)16-12(17)10-3-2-4-15-10;/h5-6,10,15H,2-4H2,1H3,(H,16,17);1H.
What are the key properties of N-(3,5-dichloro-4-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride?
N-(3,5-dichloro-4-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 325.62 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119312729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).