4-fluoro-3-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide

C17H25FN2O — CID 106611187

IUPAC4-fluoro-3-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCc1cc(C(=O)N(CC(C)C)CC2CCCN2)ccc1F
InChIInChI=1S/C17H25FN2O/c1-12(2)10-20(11-15-5-4-8-19-15)17(21)14-6-7-16(18)13(3)9-14/h6-7,9,12,15,19H,4-5,8,10-11H2,1-3H3
InChIKeySBSOGPIZSNQICX-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.98
Rot. Bonds5

About 4-fluoro-3-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide

4-fluoro-3-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106611187) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106611187
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name4-fluoro-3-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCc1cc(C(=O)N(CC(C)C)CC2CCCN2)ccc1F
InChIInChI=1S/C17H25FN2O/c1-12(2)10-20(11-15-5-4-8-19-15)17(21)14-6-7-16(18)13(3)9-14/h6-7,9,12,15,19H,4-5,8,10-11H2,1-3H3
InChIKeySBSOGPIZSNQICX-UHFFFAOYSA-N
XLogP2.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611087
4-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625701
2,4-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611361
5-bromo-2-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611177
N-(cyclopropylmethyl)-3-fluoro-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608710
2,3-difluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611182
N-(2-methylpropyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)pyran-3-carboxamide
CID 106611351
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610422
3-chloro-4-fluoro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609627
4-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide
CID 106610939
3-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106611115
N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609422

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 4-fluoro-3-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106611187) is 4-fluoro-3-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide is Cc1cc(C(=O)N(CC(C)C)CC2CCCN2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is SBSOGPIZSNQICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-12(2)10-20(11-15-5-4-8-19-15)17(21)14-6-7-16(18)13(3)9-14/h6-7,9,12,15,19H,4-5,8,10-11H2,1-3H3.
What are the key properties of 4-fluoro-3-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
4-fluoro-3-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 292.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106611187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).