N-(2-chloro-4,5-dimethoxyphenyl)pyrrolidine-2-carboxamide

C13H17ClN2O3 — CID 43233979

IUPACN-(2-chloro-4,5-dimethoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)C2CCCN2)cc1OC
InChIInChI=1S/C13H17ClN2O3/c1-18-11-6-8(14)10(7-12(11)19-2)16-13(17)9-4-3-5-15-9/h6-7,9,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyHOHRTKUKQLCLOQ-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.05
Rot. Bonds4

About N-(2-chloro-4,5-dimethoxyphenyl)pyrrolidine-2-carboxamide

N-(2-chloro-4,5-dimethoxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 43233979) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is N-(2-chloro-4,5-dimethoxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,5-dimethoxyphenyl)pyrrolidine-2-carboxamide
PubChem CID43233979
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC NameN-(2-chloro-4,5-dimethoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)C2CCCN2)cc1OC
InChIInChI=1S/C13H17ClN2O3/c1-18-11-6-8(14)10(7-12(11)19-2)16-13(17)9-4-3-5-15-9/h6-7,9,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyHOHRTKUKQLCLOQ-UHFFFAOYSA-N
XLogP2.05
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-methoxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 61178330
(2S)-N-(2-chloro-5-methylphenyl)pyrrolidine-2-carboxamide
CID 103794561
N-(3,5-dichloro-4-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119312729
(2R)-N-[3-methoxy-2-[2-methoxy-6-[[(2R)-pyrrolidine-2-carbonyl]amino]phenyl]phenyl]pyrrolidine-2-carboxamide
CID 102160795
(2S)-N-(2-chloro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 28881291
N-(5-acetamido-2-chlorophenyl)pyrrolidine-2-carboxamide
CID 119280739
N-(4-chloro-3-methoxyphenyl)azepane-2-carboxamide
CID 107621689
N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 82495828
(2S)-N-(2-chloro-5-methylphenyl)piperidine-2-carboxamide
CID 103808460
methyl 5-chloro-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoate
CID 66680324
N-(2-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide
CID 68603513
(2S)-N-(2-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide
CID 25166096

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)pyrrolidine-2-carboxamide (CID 43233979) is N-(2-chloro-4,5-dimethoxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4,5-dimethoxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-chloro-4,5-dimethoxyphenyl)pyrrolidine-2-carboxamide is COc1cc(Cl)c(NC(=O)C2CCCN2)cc1OC.
What is the InChIKey of N-(2-chloro-4,5-dimethoxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is HOHRTKUKQLCLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-18-11-6-8(14)10(7-12(11)19-2)16-13(17)9-4-3-5-15-9/h6-7,9,15H,3-5H2,1-2H3,(H,16,17).
What are the key properties of N-(2-chloro-4,5-dimethoxyphenyl)pyrrolidine-2-carboxamide?
N-(2-chloro-4,5-dimethoxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 284.74 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,5-dimethoxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 43233979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).