(2S)-N-(3-chloro-4-propoxyphenyl)pyrrolidine-2-carboxamide

C14H19ClN2O2 — CID 61179228

IUPAC(2S)-N-(3-chloro-4-propoxyphenyl)pyrrolidine-2-carboxamide
SMILESCCCOc1ccc(NC(=O)[C@@H]2CCCN2)cc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-2-8-19-13-6-5-10(9-11(13)15)17-14(18)12-4-3-7-16-12/h5-6,9,12,16H,2-4,7-8H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyZFYJCRYZJSVSNO-LBPRGKRZSA-N
MW282.77 g/mol
LogP2.82
Rot. Bonds5

About (2S)-N-(3-chloro-4-propoxyphenyl)pyrrolidine-2-carboxamide

(2S)-N-(3-chloro-4-propoxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 61179228) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (2S)-N-(3-chloro-4-propoxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-4-propoxyphenyl)pyrrolidine-2-carboxamide
PubChem CID61179228
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name(2S)-N-(3-chloro-4-propoxyphenyl)pyrrolidine-2-carboxamide
SMILESCCCOc1ccc(NC(=O)[C@@H]2CCCN2)cc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-2-8-19-13-6-5-10(9-11(13)15)17-14(18)12-4-3-7-16-12/h5-6,9,12,16H,2-4,7-8H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyZFYJCRYZJSVSNO-LBPRGKRZSA-N
XLogP2.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-N-(3-chloro-4-propoxyphenyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-2-carboxamide
CID 122081630
(2R)-N-(3-chloro-4-ethoxyphenyl)piperidine-2-carboxamide
CID 93359932
N-(3-chloro-4-ethoxyphenyl)azepane-2-carboxamide
CID 64564595
(2S)-N-(3,4-dipropoxyphenyl)piperidine-2-carboxamide
CID 119679429
N-(3-chloro-4-propoxyphenyl)-3-methylpiperidine-2-carboxamide
CID 107067581
(2R)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide
CID 104900490
(2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 103795109
N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119847003
(2S)-N-(3-chloro-4-propoxyphenyl)-1-methylpyrrolidine-2-carboxamide
CID 131937126
(2R)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]piperidine-2-carboxamide
CID 119846962
N-(4-methyl-2-propoxyphenyl)azepane-2-carboxamide
CID 64561866
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-4-propoxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-chloro-4-propoxyphenyl)pyrrolidine-2-carboxamide (CID 61179228) is (2S)-N-(3-chloro-4-propoxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-chloro-4-propoxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-chloro-4-propoxyphenyl)pyrrolidine-2-carboxamide is CCCOc1ccc(NC(=O)[C@@H]2CCCN2)cc1Cl.
What is the InChIKey of (2S)-N-(3-chloro-4-propoxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is ZFYJCRYZJSVSNO-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-2-8-19-13-6-5-10(9-11(13)15)17-14(18)12-4-3-7-16-12/h5-6,9,12,16H,2-4,7-8H2,1H3,(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-4-propoxyphenyl)pyrrolidine-2-carboxamide?
(2S)-N-(3-chloro-4-propoxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-4-propoxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 61179228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).