5-bromo-2-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide

C13H16BrClN2O — CID 106607717

IUPAC5-bromo-2-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCN(CC1CCCN1)C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H16BrClN2O/c1-17(8-10-3-2-6-16-10)13(18)11-7-9(14)4-5-12(11)15/h4-5,7,10,16H,2-3,6,8H2,1H3
InChIKeyGILKOAONDQZRHM-UHFFFAOYSA-N
MW331.64 g/mol
LogP2.93
Rot. Bonds3

About 5-bromo-2-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide

5-bromo-2-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106607717) has the molecular formula C13H16BrClN2O and a molecular weight of 331.64 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106607717
Molecular FormulaC13H16BrClN2O
Molecular Weight331.64 g/mol
Exact Mass330.01
IUPAC Name5-bromo-2-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCN(CC1CCCN1)C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H16BrClN2O/c1-17(8-10-3-2-6-16-10)13(18)11-7-9(14)4-5-12(11)15/h4-5,7,10,16H,2-3,6,8H2,1H3
InChIKeyGILKOAONDQZRHM-UHFFFAOYSA-N
XLogP2.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.64
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609221
4-bromo-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608037
2-chloro-N-methyl-5-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide
CID 106627453
2-bromo-N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607476
3-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107098400
3,5-dichloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607655
4-bromo-2-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608555
2-hydroxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608014
2-bromo-N-methyl-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzamide
CID 106607367
5-chloro-2-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607639
5-chloro-N-methyl-N-(piperidin-2-ylmethyl)furan-2-carboxamide
CID 106627540
2-ethyl-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607295

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106607717) is 5-bromo-2-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide is CN(CC1CCCN1)C(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is GILKOAONDQZRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O/c1-17(8-10-3-2-6-16-10)13(18)11-7-9(14)4-5-12(11)15/h4-5,7,10,16H,2-3,6,8H2,1H3.
What are the key properties of 5-bromo-2-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
5-bromo-2-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 331.64 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106607717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).