3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide

C15H20F2N2O — CID 106610422

IUPAC3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCCN(CC1CCCN1)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2O/c1-2-8-19(10-12-4-3-7-18-12)15(20)11-5-6-13(16)14(17)9-11/h5-6,9,12,18H,2-4,7-8,10H2,1H3
InChIKeyWDYNIFQUTKTJLQ-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.57
Rot. Bonds5

About 3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide

3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106610422) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106610422
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCCN(CC1CCCN1)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2O/c1-2-8-19(10-12-4-3-7-18-12)15(20)11-5-6-13(16)14(17)9-11/h5-6,9,12,18H,2-4,7-8,10H2,1H3
InChIKeyWDYNIFQUTKTJLQ-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625701
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610518
4-bromo-3-chloro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610449
3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625495
2-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
CID 106753772
3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106613059
N-(cyclopropylmethyl)-3-fluoro-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608710
N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609422
2,4-difluoro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625849
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612004
4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609166
4-fluoro-3-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611187

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106610422) is 3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide is CCCN(CC1CCCN1)C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is WDYNIFQUTKTJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-2-8-19(10-12-4-3-7-18-12)15(20)11-5-6-13(16)14(17)9-11/h5-6,9,12,18H,2-4,7-8,10H2,1H3.
What are the key properties of 3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide?
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 282.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106610422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).