(2S)-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-2-carboxamide

C15H22ClN3O2 — CID 122081630

IUPAC(2S)-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-2-carboxamide
SMILESCN(C)CCOc1ccc(NC(=O)[C@@H]2CCCN2)cc1Cl
InChIInChI=1S/C15H22ClN3O2/c1-19(2)8-9-21-14-6-5-11(10-12(14)16)18-15(20)13-4-3-7-17-13/h5-6,10,13,17H,3-4,7-9H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyJOOOJIXAIVDDRJ-ZDUSSCGKSA-N
MW311.81 g/mol
LogP1.97
Rot. Bonds6

About (2S)-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-2-carboxamide

(2S)-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-2-carboxamide (PubChem CID 122081630) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is (2S)-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-2-carboxamide
PubChem CID122081630
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name(2S)-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-2-carboxamide
SMILESCN(C)CCOc1ccc(NC(=O)[C@@H]2CCCN2)cc1Cl
InChIInChI=1S/C15H22ClN3O2/c1-19(2)8-9-21-14-6-5-11(10-12(14)16)18-15(20)13-4-3-7-17-13/h5-6,10,13,17H,3-4,7-9H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyJOOOJIXAIVDDRJ-ZDUSSCGKSA-N
XLogP1.97
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-chloro-4-propoxyphenyl)pyrrolidine-2-carboxamide
CID 61179228
(2R)-N-(3-chloro-4-ethoxyphenyl)piperidine-2-carboxamide
CID 93359932
N-(3-chloro-4-ethoxyphenyl)azepane-2-carboxamide
CID 64564595
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119862039
(2R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]piperidine-2-carboxamide
CID 103813549
(2R)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide
CID 104900490
N-(3-chloro-4-propoxyphenyl)-3-methylpiperidine-2-carboxamide
CID 107067581
(2S)-N-(3,4-dipropoxyphenyl)piperidine-2-carboxamide
CID 119679429
N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119847003
(2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 103795109
(2R)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]piperidine-2-carboxamide
CID 119846962
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-2-carboxamide (CID 122081630) is (2S)-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-2-carboxamide is CN(C)CCOc1ccc(NC(=O)[C@@H]2CCCN2)cc1Cl.
What is the InChIKey of (2S)-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is JOOOJIXAIVDDRJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-19(2)8-9-21-14-6-5-11(10-12(14)16)18-15(20)13-4-3-7-17-13/h5-6,10,13,17H,3-4,7-9H2,1-2H3,(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-2-carboxamide?
(2S)-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 311.81 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 122081630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).