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

C13H18ClN3O — CID 61154948

IUPAC(2S)-N-[3-chloro-2-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C13H18ClN3O/c1-17(2)12-9(14)5-3-6-10(12)16-13(18)11-7-4-8-15-11/h3,5-6,11,15H,4,7-8H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyXWXRHMWNNWFYKX-NSHDSACASA-N
MW267.76 g/mol
LogP2.10
Rot. Bonds3

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

(2S)-N-[3-chloro-2-(dimethylamino)phenyl]pyrrolidine-2-carboxamide (PubChem CID 61154948) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is (2S)-N-[3-chloro-2-(dimethylamino)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-chloro-2-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
PubChem CID61154948
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name(2S)-N-[3-chloro-2-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C13H18ClN3O/c1-17(2)12-9(14)5-3-6-10(12)16-13(18)11-7-4-8-15-11/h3,5-6,11,15H,4,7-8H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyXWXRHMWNNWFYKX-NSHDSACASA-N
XLogP2.10
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-2-carboxamide
CID 93265591
N-[3-chloro-2-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide
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N-(2,3-dichlorophenyl)azepane-2-carboxamide
CID 64563193
(2R)-N-(3-chloro-2-fluorophenyl)piperidine-2-carboxamide
CID 28969312
N-[3-(2-chlorophenyl)-2-fluorophenyl]pyrrolidine-2-carboxamide
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CID 104901241
N-[2-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 43706722
(2S)-N-(2-chloro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 28881291
N-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide
CID 79602150
(2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261902
(2S)-N-(2-chloro-5-methylphenyl)pyrrolidine-2-carboxamide
CID 103794561
(2S)-N-(3-bromo-2-methylphenyl)pyrrolidine-2-carboxamide
CID 103794811

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-chloro-2-(dimethylamino)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[3-chloro-2-(dimethylamino)phenyl]pyrrolidine-2-carboxamide (CID 61154948) is (2S)-N-[3-chloro-2-(dimethylamino)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-chloro-2-(dimethylamino)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[3-chloro-2-(dimethylamino)phenyl]pyrrolidine-2-carboxamide is CN(C)c1c(Cl)cccc1NC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[3-chloro-2-(dimethylamino)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is XWXRHMWNNWFYKX-NSHDSACASA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-17(2)12-9(14)5-3-6-10(12)16-13(18)11-7-4-8-15-11/h3,5-6,11,15H,4,7-8H2,1-2H3,(H,16,18)/t11-/m0/s1.
What are the key properties of (2S)-N-[3-chloro-2-(dimethylamino)phenyl]pyrrolidine-2-carboxamide?
(2S)-N-[3-chloro-2-(dimethylamino)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-chloro-2-(dimethylamino)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61154948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).