N-[1-(dimethylamino)propan-2-yl]-3-fluoro-2-(propylamino)benzamide

C15H24FN3O — CID 82950249

IUPACN-[1-(dimethylamino)propan-2-yl]-3-fluoro-2-(propylamino)benzamide
SMILESCCCNc1c(F)cccc1C(=O)NC(C)CN(C)C
InChIInChI=1S/C15H24FN3O/c1-5-9-17-14-12(7-6-8-13(14)16)15(20)18-11(2)10-19(3)4/h6-8,11,17H,5,9-10H2,1-4H3,(H,18,20)
InChIKeyOKGVOLVFAFFUQA-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.33
Rot. Bonds7

About N-[1-(dimethylamino)propan-2-yl]-3-fluoro-2-(propylamino)benzamide

N-[1-(dimethylamino)propan-2-yl]-3-fluoro-2-(propylamino)benzamide (PubChem CID 82950249) has the molecular formula C15H24FN3O and a molecular weight of 281.37 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-3-fluoro-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-3-fluoro-2-(propylamino)benzamide
PubChem CID82950249
Molecular FormulaC15H24FN3O
Molecular Weight281.37 g/mol
Exact Mass281.19
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-3-fluoro-2-(propylamino)benzamide
SMILESCCCNc1c(F)cccc1C(=O)NC(C)CN(C)C
InChIInChI=1S/C15H24FN3O/c1-5-9-17-14-12(7-6-8-13(14)16)15(20)18-11(2)10-19(3)4/h6-8,11,17H,5,9-10H2,1-4H3,(H,18,20)
InChIKeyOKGVOLVFAFFUQA-UHFFFAOYSA-N
XLogP2.33
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(dimethylamino)propan-2-yl]-3-fluoro-2-(propylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(dimethylamino)butan-2-yl]-3-fluoro-2-(propylamino)benzamide
CID 62660721
3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide
CID 62662634
N-[2-(dimethylamino)propyl]-3-fluoro-2-(propylamino)benzamide
CID 62660881
2-amino-N-[1-(dimethylamino)propan-2-yl]-3-fluorobenzamide
CID 82938061
N-[1-(dimethylamino)propan-2-yl]-2-fluoro-3-methylbenzamide
CID 82946104
2-(ethylamino)-3-fluoro-N-heptan-2-ylbenzamide
CID 62662293
3-fluoro-2-(methylamino)-N-pentan-2-ylbenzamide
CID 55101629
N-(4-chlorophenyl)-3-fluoro-2-(propylamino)benzamide
CID 63501108
5-chloro-N-[1-(dimethylamino)propan-2-yl]-2-(propylamino)benzamide
CID 82949522
3-fluoro-N-(1-methylcyclohexyl)-2-(propylamino)benzamide
CID 63499533
N-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide
CID 83115693
N-cyclobutyl-3-fluoro-2-(propylamino)benzamide
CID 62662485

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-3-fluoro-2-(propylamino)benzamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-3-fluoro-2-(propylamino)benzamide (CID 82950249) is N-[1-(dimethylamino)propan-2-yl]-3-fluoro-2-(propylamino)benzamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-3-fluoro-2-(propylamino)benzamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-3-fluoro-2-(propylamino)benzamide is CCCNc1c(F)cccc1C(=O)NC(C)CN(C)C.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-3-fluoro-2-(propylamino)benzamide?
The InChIKey is OKGVOLVFAFFUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-5-9-17-14-12(7-6-8-13(14)16)15(20)18-11(2)10-19(3)4/h6-8,11,17H,5,9-10H2,1-4H3,(H,18,20).
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-3-fluoro-2-(propylamino)benzamide?
N-[1-(dimethylamino)propan-2-yl]-3-fluoro-2-(propylamino)benzamide has a molecular weight of 281.37 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-3-fluoro-2-(propylamino)benzamide is sourced from PubChem (CID 82950249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).