3,5-difluoro-N-morpholin-4-yl-4-(propylamino)benzamide

C14H19F2N3O2 — CID 83016710

IUPAC3,5-difluoro-N-morpholin-4-yl-4-(propylamino)benzamide
SMILESCCCNc1c(F)cc(C(=O)NN2CCOCC2)cc1F
InChIInChI=1S/C14H19F2N3O2/c1-2-3-17-13-11(15)8-10(9-12(13)16)14(20)18-19-4-6-21-7-5-19/h8-9,17H,2-7H2,1H3,(H,18,20)
InChIKeyVYYCKPHHVRQRJQ-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.76
Rot. Bonds5

About 3,5-difluoro-N-morpholin-4-yl-4-(propylamino)benzamide

3,5-difluoro-N-morpholin-4-yl-4-(propylamino)benzamide (PubChem CID 83016710) has the molecular formula C14H19F2N3O2 and a molecular weight of 299.32 g/mol. Its IUPAC name is 3,5-difluoro-N-morpholin-4-yl-4-(propylamino)benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-morpholin-4-yl-4-(propylamino)benzamide
PubChem CID83016710
Molecular FormulaC14H19F2N3O2
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name3,5-difluoro-N-morpholin-4-yl-4-(propylamino)benzamide
SMILESCCCNc1c(F)cc(C(=O)NN2CCOCC2)cc1F
InChIInChI=1S/C14H19F2N3O2/c1-2-3-17-13-11(15)8-10(9-12(13)16)14(20)18-19-4-6-21-7-5-19/h8-9,17H,2-7H2,1H3,(H,18,20)
InChIKeyVYYCKPHHVRQRJQ-UHFFFAOYSA-N
XLogP1.76
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-difluoro-N-piperidin-1-yl-4-(propylamino)benzamide
CID 83016826
3,5-difluoro-N-(oxan-3-yl)-4-(propylamino)benzamide
CID 63362445
3,5-difluoro-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide
CID 82729062
[3,5-difluoro-4-(propylamino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 63187434
3,5-difluoro-N-(4-methylpentan-2-yl)-4-(propylamino)benzamide
CID 63185041
4-(ethylamino)-3,5-difluoro-N-(oxan-4-yl)benzamide
CID 63184878
2-amino-6-methyl-N-morpholin-4-ylpyridine-4-carboxamide
CID 113379151
3,5-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)-4-(propylamino)benzamide
CID 106408572
N-morpholin-4-yl-4-(propylamino)pyridine-3-carboxamide
CID 83025351
3-amino-5-chloro-N-morpholin-4-ylbenzamide
CID 83013444
2-fluoro-N-morpholin-4-ylpyridine-4-carboxamide
CID 78965765
[3,5-difluoro-4-(propylamino)phenyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 63183625

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-morpholin-4-yl-4-(propylamino)benzamide?
The IUPAC name of 3,5-difluoro-N-morpholin-4-yl-4-(propylamino)benzamide (CID 83016710) is 3,5-difluoro-N-morpholin-4-yl-4-(propylamino)benzamide.
What is the SMILES notation for 3,5-difluoro-N-morpholin-4-yl-4-(propylamino)benzamide?
The canonical SMILES for 3,5-difluoro-N-morpholin-4-yl-4-(propylamino)benzamide is CCCNc1c(F)cc(C(=O)NN2CCOCC2)cc1F.
What is the InChIKey of 3,5-difluoro-N-morpholin-4-yl-4-(propylamino)benzamide?
The InChIKey is VYYCKPHHVRQRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O2/c1-2-3-17-13-11(15)8-10(9-12(13)16)14(20)18-19-4-6-21-7-5-19/h8-9,17H,2-7H2,1H3,(H,18,20).
What are the key properties of 3,5-difluoro-N-morpholin-4-yl-4-(propylamino)benzamide?
3,5-difluoro-N-morpholin-4-yl-4-(propylamino)benzamide has a molecular weight of 299.32 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-morpholin-4-yl-4-(propylamino)benzamide is sourced from PubChem (CID 83016710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).