2,3-difluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide

C16H22F2N2O — CID 106611182

IUPAC2,3-difluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCC(C)CN(CC1CCCN1)C(=O)c1cccc(F)c1F
InChIInChI=1S/C16H22F2N2O/c1-11(2)9-20(10-12-5-4-8-19-12)16(21)13-6-3-7-14(17)15(13)18/h3,6-7,11-12,19H,4-5,8-10H2,1-2H3
InChIKeyPSPSNKRVMJIFDQ-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.82
Rot. Bonds5

About 2,3-difluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide

2,3-difluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106611182) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is 2,3-difluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106611182
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name2,3-difluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCC(C)CN(CC1CCCN1)C(=O)c1cccc(F)c1F
InChIInChI=1S/C16H22F2N2O/c1-11(2)9-20(10-12-5-4-8-19-12)16(21)13-6-3-7-14(17)15(13)18/h3,6-7,11-12,19H,4-5,8-10H2,1-2H3
InChIKeyPSPSNKRVMJIFDQ-UHFFFAOYSA-N
XLogP2.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611177
4-fluoro-3-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611187
2,4-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611361
3-chloro-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608668
4-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide
CID 106610939
1,5-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 106611340
3-benzyl-1-(2-methylpropyl)-1-(pyrrolidin-2-ylmethyl)urea
CID 107654375
2-chloro-N-ethyl-3-fluoro-N-(piperidin-2-ylmethyl)benzamide
CID 106626140
3,4-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611087
3-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106611115
2-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626455
5-ethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 106610975

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 2,3-difluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106611182) is 2,3-difluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 2,3-difluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 2,3-difluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide is CC(C)CN(CC1CCCN1)C(=O)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is PSPSNKRVMJIFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-11(2)9-20(10-12-5-4-8-19-12)16(21)13-6-3-7-14(17)15(13)18/h3,6-7,11-12,19H,4-5,8-10H2,1-2H3.
What are the key properties of 2,3-difluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
2,3-difluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 296.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106611182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).