N-(3-amino-4-fluorophenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide

C13H17FN4O — CID 63225825

IUPACN-(3-amino-4-fluorophenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide
SMILESCC(CC#N)N(C)CC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C13H17FN4O/c1-9(5-6-15)18(2)8-13(19)17-10-3-4-11(14)12(16)7-10/h3-4,7,9H,5,8,16H2,1-2H3,(H,17,19)
InChIKeyGHYFZCRPXXDIKZ-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.58
Rot. Bonds5

About N-(3-amino-4-fluorophenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide

N-(3-amino-4-fluorophenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide (PubChem CID 63225825) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide
PubChem CID63225825
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC NameN-(3-amino-4-fluorophenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide
SMILESCC(CC#N)N(C)CC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C13H17FN4O/c1-9(5-6-15)18(2)8-13(19)17-10-3-4-11(14)12(16)7-10/h3-4,7,9H,5,8,16H2,1-2H3,(H,17,19)
InChIKeyGHYFZCRPXXDIKZ-UHFFFAOYSA-N
XLogP1.58
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.58
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-(4-aminophenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide
CID 63222153
N-(3-amino-4-fluorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43295418
2-[[2-(3-amino-4-fluoroanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374534
N-(3-amino-4-fluorophenyl)-3-[bis(cyanomethyl)amino]propanamide
CID 18071045
N-(2-amino-6-methylphenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide
CID 55174325
N-(3-amino-4-fluorophenyl)-2-(dibutylamino)acetamide
CID 28982408
N-(3-amino-4-fluorophenyl)-3-[1-methoxypropan-2-yl(methyl)amino]propanamide
CID 61450388
N-(3-amino-4-fluorophenyl)-3-(dipropylamino)propanamide
CID 16779657
N-(3-amino-4-fluorophenyl)-2-methylbutanamide
CID 16795322
N-(3-amino-4-fluorophenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 107770467
N-(3-amino-4-fluorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43587980
N-(3-amino-4-fluorophenyl)-3,4,4-trimethylpentanamide
CID 63834446

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide (CID 63225825) is N-(3-amino-4-fluorophenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide is CC(CC#N)N(C)CC(=O)Nc1ccc(F)c(N)c1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide?
The InChIKey is GHYFZCRPXXDIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-9(5-6-15)18(2)8-13(19)17-10-3-4-11(14)12(16)7-10/h3-4,7,9H,5,8,16H2,1-2H3,(H,17,19).
What are the key properties of N-(3-amino-4-fluorophenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide?
N-(3-amino-4-fluorophenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide has a molecular weight of 264.30 g/mol, XLogP of 1.58, 5 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)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide is sourced from PubChem (CID 63225825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).