4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methylamino]-N-propylbenzamide

C21H26FN3O — CID 131962928

IUPAC4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NCc2c(F)cccc2N2CCCC2)cc1
InChIInChI=1S/C21H26FN3O/c1-2-12-23-21(26)16-8-10-17(11-9-16)24-15-18-19(22)6-5-7-20(18)25-13-3-4-14-25/h5-11,24H,2-4,12-15H2,1H3,(H,23,26)
InChIKeyYAKKJPJUWNKHTE-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.18
Rot. Bonds7

About 4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methylamino]-N-propylbenzamide

4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methylamino]-N-propylbenzamide (PubChem CID 131962928) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methylamino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methylamino]-N-propylbenzamide
PubChem CID131962928
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NCc2c(F)cccc2N2CCCC2)cc1
InChIInChI=1S/C21H26FN3O/c1-2-12-23-21(26)16-8-10-17(11-9-16)24-15-18-19(22)6-5-7-20(18)25-13-3-4-14-25/h5-11,24H,2-4,12-15H2,1H3,(H,23,26)
InChIKeyYAKKJPJUWNKHTE-UHFFFAOYSA-N
XLogP4.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-N-[4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methylamino]phenyl]acetamide
CID 112839499
5-[(3-fluorophenyl)carbamoylamino]-N-propyl-2-pyrrolidin-1-ylbenzamide
CID 4579577
N-pentyl-4-(propylamino)benzamide
CID 62185567
N-[(3-fluorophenyl)methyl]-4-(propylamino)benzamide
CID 62165093
2-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl-propylamino]acetic acid
CID 122040168
N-benzyl-4-(propylamino)benzamide
CID 62172438
6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-N-propylpyridine-3-carboxamide
CID 133411794
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
4-(azepan-1-ylmethyl)-N-propylbenzamide
CID 43924202
4-[[2-(4-fluoroanilino)acetyl]amino]-N-propylbenzamide
CID 54813322
methyl 4-[(2-chloro-6-fluorophenyl)methylamino]benzoate
CID 43087990
N-(2-cyclohexylethyl)-4-(propylamino)benzamide
CID 62180221

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methylamino]-N-propylbenzamide?
The IUPAC name of 4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methylamino]-N-propylbenzamide (CID 131962928) is 4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methylamino]-N-propylbenzamide.
What is the SMILES notation for 4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methylamino]-N-propylbenzamide?
The canonical SMILES for 4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methylamino]-N-propylbenzamide is CCCNC(=O)c1ccc(NCc2c(F)cccc2N2CCCC2)cc1.
What is the InChIKey of 4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methylamino]-N-propylbenzamide?
The InChIKey is YAKKJPJUWNKHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-2-12-23-21(26)16-8-10-17(11-9-16)24-15-18-19(22)6-5-7-20(18)25-13-3-4-14-25/h5-11,24H,2-4,12-15H2,1H3,(H,23,26).
What are the key properties of 4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methylamino]-N-propylbenzamide?
4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methylamino]-N-propylbenzamide has a molecular weight of 355.46 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methylamino]-N-propylbenzamide is sourced from PubChem (CID 131962928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).