3,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzamide

C12H14Cl2N2O — CID 63298248

IUPAC3,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCN(C(=O)c1cc(Cl)cc(Cl)c1)C1CCNC1
InChIInChI=1S/C12H14Cl2N2O/c1-16(11-2-3-15-7-11)12(17)8-4-9(13)6-10(14)5-8/h4-6,11,15H,2-3,7H2,1H3
InChIKeyJJQAUMQVKHDYBF-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.43
Rot. Bonds2

About 3,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzamide

3,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 63298248) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 3,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzamide
PubChem CID63298248
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name3,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCN(C(=O)c1cc(Cl)cc(Cl)c1)C1CCNC1
InChIInChI=1S/C12H14Cl2N2O/c1-16(11-2-3-15-7-11)12(17)8-4-9(13)6-10(14)5-8/h4-6,11,15H,2-3,7H2,1H3
InChIKeyJJQAUMQVKHDYBF-UHFFFAOYSA-N
XLogP2.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(azetidin-3-yl)-3,5-dichloro-N-methylbenzamide
CID 66186140
N,3,5-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551819
3,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805831
3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 103806752
3,5-dichloro-N-ethyl-N-piperidin-4-ylbenzamide
CID 60806736
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996
N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119551120
N,3,5-trimethyl-N-piperidin-4-ylbenzamide
CID 43602069
3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806673
3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide
CID 114022754
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 125134434

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 3,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzamide (CID 63298248) is 3,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 3,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 3,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzamide is CN(C(=O)c1cc(Cl)cc(Cl)c1)C1CCNC1.
What is the InChIKey of 3,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is JJQAUMQVKHDYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c1-16(11-2-3-15-7-11)12(17)8-4-9(13)6-10(14)5-8/h4-6,11,15H,2-3,7H2,1H3.
What are the key properties of 3,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzamide?
3,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 273.16 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 63298248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).