N-(3-amino-4-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide

C13H20FN3O2 — CID 54879526

IUPACN-(3-amino-4-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
SMILESCN(CCO)CCCC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C13H20FN3O2/c1-17(7-8-18)6-2-3-13(19)16-10-4-5-11(14)12(15)9-10/h4-5,9,18H,2-3,6-8,15H2,1H3,(H,16,19)
InChIKeyHGRIMNBIOFGUNB-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.05
Rot. Bonds7

About N-(3-amino-4-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide

N-(3-amino-4-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide (PubChem CID 54879526) has the molecular formula C13H20FN3O2 and a molecular weight of 269.32 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
PubChem CID54879526
Molecular FormulaC13H20FN3O2
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC NameN-(3-amino-4-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
SMILESCN(CCO)CCCC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C13H20FN3O2/c1-17(7-8-18)6-2-3-13(19)16-10-4-5-11(14)12(15)9-10/h4-5,9,18H,2-3,6-8,15H2,1H3,(H,16,19)
InChIKeyHGRIMNBIOFGUNB-UHFFFAOYSA-N
XLogP1.05
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.05
H-Bond Donors ≤ 53
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-(dimethylamino)ethyl-methylamino]butanamide
CID 63695284
N-(3-amino-4-fluorophenyl)-4-[bis(2-hydroxyethyl)amino]butanamide
CID 61243362
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-(2-amino-4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879448
N-(3-amino-4-fluorophenyl)-3-[2-ethoxyethyl(methyl)amino]propanamide
CID 81053508
N-(3-amino-4-fluorophenyl)-3-(dipropylamino)propanamide
CID 16779657
N-(3-amino-4-fluorophenyl)-4-(4-hydroxybutan-2-ylsulfanyl)butanamide
CID 66138076
4-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]-N-phenylbutanamide
CID 142203180
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

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide (CID 54879526) is N-(3-amino-4-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide is CN(CCO)CCCC(=O)Nc1ccc(F)c(N)c1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide?
The InChIKey is HGRIMNBIOFGUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2/c1-17(7-8-18)6-2-3-13(19)16-10-4-5-11(14)12(15)9-10/h4-5,9,18H,2-3,6-8,15H2,1H3,(H,16,19).
What are the key properties of N-(3-amino-4-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide?
N-(3-amino-4-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide has a molecular weight of 269.32 g/mol, XLogP of 1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide is sourced from PubChem (CID 54879526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).