N-(3-amino-4-fluorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide

C15H25FN4O — CID 63695284

IUPACN-(3-amino-4-fluorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
SMILESCN(C)CCN(C)CCCC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C15H25FN4O/c1-19(2)9-10-20(3)8-4-5-15(21)18-12-6-7-13(16)14(17)11-12/h6-7,11H,4-5,8-10,17H2,1-3H3,(H,18,21)
InChIKeyOXRWHFCDSNSEBU-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.62
Rot. Bonds8

About N-(3-amino-4-fluorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide

N-(3-amino-4-fluorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide (PubChem CID 63695284) has the molecular formula C15H25FN4O and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
PubChem CID63695284
Molecular FormulaC15H25FN4O
Molecular Weight296.39 g/mol
Exact Mass296.20
IUPAC NameN-(3-amino-4-fluorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
SMILESCN(C)CCN(C)CCCC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C15H25FN4O/c1-19(2)9-10-20(3)8-4-5-15(21)18-12-6-7-13(16)14(17)11-12/h6-7,11H,4-5,8-10,17H2,1-3H3,(H,18,21)
InChIKeyOXRWHFCDSNSEBU-UHFFFAOYSA-N
XLogP1.62
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879526
N-(3-amino-4-fluorophenyl)-3-[butyl(methyl)amino]propanamide
CID 18071143
N-(3-amino-4-fluorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide
CID 43295364
N-(3-amino-4-fluorophenyl)-4-[bis(2-hydroxyethyl)amino]butanamide
CID 61243362
N-(2-amino-4-chlorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
CID 63693562
N-(3-amino-4-fluorophenyl)-3-[2-ethoxyethyl(methyl)amino]propanamide
CID 81053508
N-(3-amino-4-chlorophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63694949
N-(3-amino-4-fluorophenyl)-3-(dipropylamino)propanamide
CID 16779657
3-[butyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
CID 2167939
2-[[2-(3-amino-4-fluoroanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374534
N-(3-amino-4-fluorophenyl)-4-ethylsulfinylbutanamide
CID 61303441
N-(3-amino-4-fluorophenyl)-4-(3-methylbutan-2-ylsulfanyl)butanamide
CID 107748717

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide (CID 63695284) is N-(3-amino-4-fluorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide is CN(C)CCN(C)CCCC(=O)Nc1ccc(F)c(N)c1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide?
The InChIKey is OXRWHFCDSNSEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN4O/c1-19(2)9-10-20(3)8-4-5-15(21)18-12-6-7-13(16)14(17)11-12/h6-7,11H,4-5,8-10,17H2,1-3H3,(H,18,21).
What are the key properties of N-(3-amino-4-fluorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide?
N-(3-amino-4-fluorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide has a molecular weight of 296.39 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide is sourced from PubChem (CID 63695284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).