3,5-dichloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide

C13H16Cl2N2O — CID 106607655

IUPAC3,5-dichloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCN(CC1CCCN1)C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H16Cl2N2O/c1-17(8-12-3-2-4-16-12)13(18)9-5-10(14)7-11(15)6-9/h5-7,12,16H,2-4,8H2,1H3
InChIKeyWKXMLYXRISUKRA-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.82
Rot. Bonds3

About 3,5-dichloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide

3,5-dichloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106607655) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is 3,5-dichloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106607655
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name3,5-dichloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCN(CC1CCCN1)C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H16Cl2N2O/c1-17(8-12-3-2-4-16-12)13(18)9-5-10(14)7-11(15)6-9/h5-7,12,16H,2-4,8H2,1H3
InChIKeyWKXMLYXRISUKRA-UHFFFAOYSA-N
XLogP2.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,5-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607828
3,5-dihydroxy-N-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 107705334
N-methyl-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide
CID 106607527
5-bromo-2-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607717
5-chloro-2-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607639
3-fluoro-N-methyl-5-nitro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607775
2,4,6-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607688
N,6-dimethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
CID 106607470
3-bromo-4-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 107956374
N-methyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 106627264
3-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107098400
3-(dimethylamino)-N-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 106627555

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 3,5-dichloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106607655) is 3,5-dichloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 3,5-dichloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 3,5-dichloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide is CN(CC1CCCN1)C(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is WKXMLYXRISUKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-17(8-12-3-2-4-16-12)13(18)9-5-10(14)7-11(15)6-9/h5-7,12,16H,2-4,8H2,1H3.
What are the key properties of 3,5-dichloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
3,5-dichloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 287.19 g/mol, XLogP of 2.82, 3 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-2-ylmethyl)benzamide is sourced from PubChem (CID 106607655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).