5-bromo-2-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide

C16H22BrFN2O — CID 106611177

IUPAC5-bromo-2-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCC(C)CN(CC1CCCN1)C(=O)c1cc(Br)ccc1F
InChIInChI=1S/C16H22BrFN2O/c1-11(2)9-20(10-13-4-3-7-19-13)16(21)14-8-12(17)5-6-15(14)18/h5-6,8,11,13,19H,3-4,7,9-10H2,1-2H3
InChIKeyRWHFYDOTJPXPBW-UHFFFAOYSA-N
MW357.27 g/mol
LogP3.44
Rot. Bonds5

About 5-bromo-2-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide

5-bromo-2-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106611177) has the molecular formula C16H22BrFN2O and a molecular weight of 357.27 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106611177
Molecular FormulaC16H22BrFN2O
Molecular Weight357.27 g/mol
Exact Mass356.09
IUPAC Name5-bromo-2-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCC(C)CN(CC1CCCN1)C(=O)c1cc(Br)ccc1F
InChIInChI=1S/C16H22BrFN2O/c1-11(2)9-20(10-13-4-3-7-19-13)16(21)14-8-12(17)5-6-15(14)18/h5-6,8,11,13,19H,3-4,7,9-10H2,1-2H3
InChIKeyRWHFYDOTJPXPBW-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608490
2,3-difluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611182
4-fluoro-3-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611187
5-bromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106611118
2,4-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611361
5-bromo-2-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609221
2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612246
4-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide
CID 106610939
3,4-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611087
N-(2-amino-2-oxoethyl)-5-bromo-2-fluoro-N-(2-methylpropyl)benzamide
CID 60732695
1,5-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 106611340
5-bromo-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972072

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106611177) is 5-bromo-2-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide is CC(C)CN(CC1CCCN1)C(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is RWHFYDOTJPXPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrFN2O/c1-11(2)9-20(10-13-4-3-7-19-13)16(21)14-8-12(17)5-6-15(14)18/h5-6,8,11,13,19H,3-4,7,9-10H2,1-2H3.
What are the key properties of 5-bromo-2-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
5-bromo-2-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 357.27 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106611177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).