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

C14H16BrF3N2O — CID 106607367

IUPAC2-bromo-N-methyl-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzamide
SMILESCN(CC1CCCN1)C(=O)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C14H16BrF3N2O/c1-20(8-10-3-2-6-19-10)13(21)11-7-9(14(16,17)18)4-5-12(11)15/h4-5,7,10,19H,2-3,6,8H2,1H3
InChIKeyKLXMJZSMWCTBNS-UHFFFAOYSA-N
MW365.19 g/mol
LogP3.29
Rot. Bonds3

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

2-bromo-N-methyl-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzamide (PubChem CID 106607367) has the molecular formula C14H16BrF3N2O and a molecular weight of 365.19 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzamide
PubChem CID106607367
Molecular FormulaC14H16BrF3N2O
Molecular Weight365.19 g/mol
Exact Mass364.04
IUPAC Name2-bromo-N-methyl-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzamide
SMILESCN(CC1CCCN1)C(=O)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C14H16BrF3N2O/c1-20(8-10-3-2-6-19-10)13(21)11-7-9(14(16,17)18)4-5-12(11)15/h4-5,7,10,19H,2-3,6,8H2,1H3
InChIKeyKLXMJZSMWCTBNS-UHFFFAOYSA-N
XLogP3.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.19
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607476
2-bromo-N-methyl-5-nitro-N-(piperidin-2-ylmethyl)benzamide
CID 106627285
5-bromo-2-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607717
4-bromo-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608037
2-hydroxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608014
2-bromo-6-fluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607384
2,4,5-trifluoro-3-hydroxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607911
3-bromo-4-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 107956374
2-ethyl-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607295
2-fluoro-4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607793
2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612246
2,4,6-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607688

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-bromo-N-methyl-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzamide (CID 106607367) is 2-bromo-N-methyl-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-bromo-N-methyl-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-bromo-N-methyl-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzamide is CN(CC1CCCN1)C(=O)c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of 2-bromo-N-methyl-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzamide?
The InChIKey is KLXMJZSMWCTBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF3N2O/c1-20(8-10-3-2-6-19-10)13(21)11-7-9(14(16,17)18)4-5-12(11)15/h4-5,7,10,19H,2-3,6,8H2,1H3.
What are the key properties of 2-bromo-N-methyl-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzamide?
2-bromo-N-methyl-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzamide has a molecular weight of 365.19 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 106607367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).