N-(6-chloro-1,3-benzodioxol-5-yl)-3-methylpyrrolidine-3-carboxamide

C13H15ClN2O3 — CID 55164754

IUPACN-(6-chloro-1,3-benzodioxol-5-yl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)Nc2cc3c(cc2Cl)OCO3)CCNC1
InChIInChI=1S/C13H15ClN2O3/c1-13(2-3-15-6-13)12(17)16-9-5-11-10(4-8(9)14)18-7-19-11/h4-5,15H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyOQLYDILDFNAARR-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.01
Rot. Bonds2

About N-(6-chloro-1,3-benzodioxol-5-yl)-3-methylpyrrolidine-3-carboxamide

N-(6-chloro-1,3-benzodioxol-5-yl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 55164754) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzodioxol-5-yl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzodioxol-5-yl)-3-methylpyrrolidine-3-carboxamide
PubChem CID55164754
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC NameN-(6-chloro-1,3-benzodioxol-5-yl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)Nc2cc3c(cc2Cl)OCO3)CCNC1
InChIInChI=1S/C13H15ClN2O3/c1-13(2-3-15-6-13)12(17)16-9-5-11-10(4-8(9)14)18-7-19-11/h4-5,15H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyOQLYDILDFNAARR-UHFFFAOYSA-N
XLogP2.01
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944066
N-(5-bromo-2-chlorophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63141919
N-(5-chloro-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63138625
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylpiperidine-3-carboxamide
CID 119944512
N-(2-bromo-5-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 104723664
1-amino-N-(6-chloro-1,3-benzodioxol-5-yl)cyclohexane-1-carboxamide
CID 43703610
N-(2,5-dichloro-4-methylphenyl)-3-methylpiperidine-3-carboxamide
CID 104727176
N-(4-acetamido-3-chlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119700277
N-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119670891
2-chloro-6-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63723107
N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpyrrolidine-3-carboxamide
CID 63140289
methyl 4-chloro-2-[(3-methylpyrrolidine-3-carbonyl)amino]benzoate
CID 63139636

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzodioxol-5-yl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(6-chloro-1,3-benzodioxol-5-yl)-3-methylpyrrolidine-3-carboxamide (CID 55164754) is N-(6-chloro-1,3-benzodioxol-5-yl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(6-chloro-1,3-benzodioxol-5-yl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(6-chloro-1,3-benzodioxol-5-yl)-3-methylpyrrolidine-3-carboxamide is CC1(C(=O)Nc2cc3c(cc2Cl)OCO3)CCNC1.
What is the InChIKey of N-(6-chloro-1,3-benzodioxol-5-yl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is OQLYDILDFNAARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-13(2-3-15-6-13)12(17)16-9-5-11-10(4-8(9)14)18-7-19-11/h4-5,15H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of N-(6-chloro-1,3-benzodioxol-5-yl)-3-methylpyrrolidine-3-carboxamide?
N-(6-chloro-1,3-benzodioxol-5-yl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 282.73 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzodioxol-5-yl)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 55164754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).