4-(ethylamino)-3,5-difluoro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide

C15H21F2N3O — CID 106028020

IUPAC4-(ethylamino)-3,5-difluoro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
SMILESCCNc1c(F)cc(C(=O)NCC2CCCN2C)cc1F
InChIInChI=1S/C15H21F2N3O/c1-3-18-14-12(16)7-10(8-13(14)17)15(21)19-9-11-5-4-6-20(11)2/h7-8,11,18H,3-6,9H2,1-2H3,(H,19,21)
InChIKeyCPNUXJPZCNRYSP-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.22
Rot. Bonds5

About 4-(ethylamino)-3,5-difluoro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide

4-(ethylamino)-3,5-difluoro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide (PubChem CID 106028020) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is 4-(ethylamino)-3,5-difluoro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(ethylamino)-3,5-difluoro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
PubChem CID106028020
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name4-(ethylamino)-3,5-difluoro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
SMILESCCNc1c(F)cc(C(=O)NCC2CCCN2C)cc1F
InChIInChI=1S/C15H21F2N3O/c1-3-18-14-12(16)7-10(8-13(14)17)15(21)19-9-11-5-4-6-20(11)2/h7-8,11,18H,3-6,9H2,1-2H3,(H,19,21)
InChIKeyCPNUXJPZCNRYSP-UHFFFAOYSA-N
XLogP2.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopentylethyl)-4-(ethylamino)-3,5-difluorobenzamide
CID 63185372
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 106021758
2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propylpyridine-4-carboxamide
CID 106025941
4-fluoro-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide
CID 129487962
4-amino-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 110473663
4-(chloromethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 114137648
4-(ethylamino)-3,5-difluoro-N-methylbenzamide
CID 63187176
2,4-difluoro-N-[(1-methylpyrrolidin-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide
CID 123776455
3-(dimethylamino)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzamide
CID 94200759
3,4-dichloro-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitrobenzamide
CID 106027973
N-cyclopentyl-N-ethyl-4-(ethylamino)-3,5-difluorobenzamide
CID 63185045
4-(ethylamino)-3,5-difluoro-N-(oxan-4-yl)benzamide
CID 63184878

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3,5-difluoro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
The IUPAC name of 4-(ethylamino)-3,5-difluoro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide (CID 106028020) is 4-(ethylamino)-3,5-difluoro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide.
What is the SMILES notation for 4-(ethylamino)-3,5-difluoro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
The canonical SMILES for 4-(ethylamino)-3,5-difluoro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide is CCNc1c(F)cc(C(=O)NCC2CCCN2C)cc1F.
What is the InChIKey of 4-(ethylamino)-3,5-difluoro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
The InChIKey is CPNUXJPZCNRYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O/c1-3-18-14-12(16)7-10(8-13(14)17)15(21)19-9-11-5-4-6-20(11)2/h7-8,11,18H,3-6,9H2,1-2H3,(H,19,21).
What are the key properties of 4-(ethylamino)-3,5-difluoro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
4-(ethylamino)-3,5-difluoro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide has a molecular weight of 297.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-3,5-difluoro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide is sourced from PubChem (CID 106028020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).