(2R)-N-(4-chloro-3-methylphenyl)-N,1-dimethylpyrrolidine-2-carboxamide;ethane

C16H25ClN2O — CID 159864395

IUPAC(2R)-N-(4-chloro-3-methylphenyl)-N,1-dimethylpyrrolidine-2-carboxamide;ethane
SMILESCC.Cc1cc(N(C)C(=O)[C@H]2CCCN2C)ccc1Cl
InChIInChI=1S/C14H19ClN2O.C2H6/c1-10-9-11(6-7-12(10)15)17(3)14(18)13-5-4-8-16(13)2;1-2/h6-7,9,13H,4-5,8H2,1-3H3;1-2H3/t13-;/m1./s1
InChIKeyNRNYYLYDUIHYEA-BTQNPOSSSA-N
MW296.84 g/mol
LogP3.73
Rot. Bonds2

About (2R)-N-(4-chloro-3-methylphenyl)-N,1-dimethylpyrrolidine-2-carboxamide;ethane

(2R)-N-(4-chloro-3-methylphenyl)-N,1-dimethylpyrrolidine-2-carboxamide;ethane (PubChem CID 159864395) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is (2R)-N-(4-chloro-3-methylphenyl)-N,1-dimethylpyrrolidine-2-carboxamide;ethane.

Molecular Properties

Compound Name(2R)-N-(4-chloro-3-methylphenyl)-N,1-dimethylpyrrolidine-2-carboxamide;ethane
PubChem CID159864395
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name(2R)-N-(4-chloro-3-methylphenyl)-N,1-dimethylpyrrolidine-2-carboxamide;ethane
SMILESCC.Cc1cc(N(C)C(=O)[C@H]2CCCN2C)ccc1Cl
InChIInChI=1S/C14H19ClN2O.C2H6/c1-10-9-11(6-7-12(10)15)17(3)14(18)13-5-4-8-16(13)2;1-2/h6-7,9,13H,4-5,8H2,1-3H3;1-2H3/t13-;/m1./s1
InChIKeyNRNYYLYDUIHYEA-BTQNPOSSSA-N
XLogP3.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dimethylphenyl)-N,1-dimethylpiperazine-2-carboxamide
CID 115177749
1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)-N-methylpiperidine-3-carboxamide
CID 133254808
cis-(1R,2S)-N-(3,4-dichlorophenyl)-2-hydroxy-N-methylcyclohexane-1-carboxamide
CID 69305559
(2S,5R)-5-(aminomethyl)-N-(3-chloro-4-methylphenyl)-N-methyloxolane-2-carboxamide;hydrochloride
CID 120792641
4-[(4-chloro-3-methylbenzoyl)-methylamino]benzoic acid
CID 104698206
N-(3,4-dichlorophenyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 140562387
tert-butyl (2R)-2-[(3-methoxycarbonyl-4-methylphenyl)-methylcarbamoyl]piperidine-1-carboxylate
CID 171792247
N-(4-chloro-3-methylphenyl)-2-[methyl-[[(2R)-1-methylpiperidin-2-yl]methyl]amino]acetamide
CID 124758452
(3R,4S)-N-(3-chloro-4-methylphenyl)-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120931783
N,N-diethyl-1-methylpyrrolidine-2-carboxamide
CID 21365849
N-(4-chloro-3-methylphenyl)-6-hydroxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxamide
CID 175969241
N-(4-amino-3-nitrophenyl)-N-ethyl-1-methylpyrrolidine-2-carboxamide
CID 66593823

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chloro-3-methylphenyl)-N,1-dimethylpyrrolidine-2-carboxamide;ethane?
The IUPAC name of (2R)-N-(4-chloro-3-methylphenyl)-N,1-dimethylpyrrolidine-2-carboxamide;ethane (CID 159864395) is (2R)-N-(4-chloro-3-methylphenyl)-N,1-dimethylpyrrolidine-2-carboxamide;ethane.
What is the SMILES notation for (2R)-N-(4-chloro-3-methylphenyl)-N,1-dimethylpyrrolidine-2-carboxamide;ethane?
The canonical SMILES for (2R)-N-(4-chloro-3-methylphenyl)-N,1-dimethylpyrrolidine-2-carboxamide;ethane is CC.Cc1cc(N(C)C(=O)[C@H]2CCCN2C)ccc1Cl.
What is the InChIKey of (2R)-N-(4-chloro-3-methylphenyl)-N,1-dimethylpyrrolidine-2-carboxamide;ethane?
The InChIKey is NRNYYLYDUIHYEA-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H19ClN2O.C2H6/c1-10-9-11(6-7-12(10)15)17(3)14(18)13-5-4-8-16(13)2;1-2/h6-7,9,13H,4-5,8H2,1-3H3;1-2H3/t13-;/m1./s1.
What are the key properties of (2R)-N-(4-chloro-3-methylphenyl)-N,1-dimethylpyrrolidine-2-carboxamide;ethane?
(2R)-N-(4-chloro-3-methylphenyl)-N,1-dimethylpyrrolidine-2-carboxamide;ethane has a molecular weight of 296.84 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-chloro-3-methylphenyl)-N,1-dimethylpyrrolidine-2-carboxamide;ethane is sourced from PubChem (CID 159864395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).