N-(2-amino-4-fluorophenyl)-2-[propan-2-yl(propyl)amino]acetamide

C14H22FN3O — CID 43269222

IUPACN-(2-amino-4-fluorophenyl)-2-[propan-2-yl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(F)cc1N)C(C)C
InChIInChI=1S/C14H22FN3O/c1-4-7-18(10(2)3)9-14(19)17-13-6-5-11(15)8-12(13)16/h5-6,8,10H,4,7,9,16H2,1-3H3,(H,17,19)
InChIKeyWFEQLDWRQXTTSC-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.47
Rot. Bonds6

About N-(2-amino-4-fluorophenyl)-2-[propan-2-yl(propyl)amino]acetamide

N-(2-amino-4-fluorophenyl)-2-[propan-2-yl(propyl)amino]acetamide (PubChem CID 43269222) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-2-[propan-2-yl(propyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-2-[propan-2-yl(propyl)amino]acetamide
PubChem CID43269222
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC NameN-(2-amino-4-fluorophenyl)-2-[propan-2-yl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(F)cc1N)C(C)C
InChIInChI=1S/C14H22FN3O/c1-4-7-18(10(2)3)9-14(19)17-13-6-5-11(15)8-12(13)16/h5-6,8,10H,4,7,9,16H2,1-3H3,(H,17,19)
InChIKeyWFEQLDWRQXTTSC-UHFFFAOYSA-N
XLogP2.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-fluorophenyl)-3-[methyl(propan-2-yl)amino]propanamide
CID 16795601
N-(2-amino-5-fluorophenyl)-2-[butan-2-yl(ethyl)amino]acetamide
CID 43611926
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-(2-amino-4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 54879385
N-(2-amino-4-fluorophenyl)-4-[methyl(pentan-2-yl)amino]butanamide
CID 43571694
N-(2-amino-4-fluorophenyl)-2-butylsulfonylacetamide
CID 43615939
N-(2-amino-4-fluorophenyl)-2-(N-ethylanilino)acetamide
CID 16788040
N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide
CID 16790935
N-(5-amino-2-methoxyphenyl)-2-[propan-2-yl(propyl)amino]acetamide
CID 43269237
3-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60835213
N-(2-amino-4-fluorophenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985452
N-(2-amino-4-fluorophenyl)-3-oxobutanamide
CID 110477415

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-2-[propan-2-yl(propyl)amino]acetamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-2-[propan-2-yl(propyl)amino]acetamide (CID 43269222) is N-(2-amino-4-fluorophenyl)-2-[propan-2-yl(propyl)amino]acetamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-2-[propan-2-yl(propyl)amino]acetamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-2-[propan-2-yl(propyl)amino]acetamide is CCCN(CC(=O)Nc1ccc(F)cc1N)C(C)C.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-2-[propan-2-yl(propyl)amino]acetamide?
The InChIKey is WFEQLDWRQXTTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-4-7-18(10(2)3)9-14(19)17-13-6-5-11(15)8-12(13)16/h5-6,8,10H,4,7,9,16H2,1-3H3,(H,17,19).
What are the key properties of N-(2-amino-4-fluorophenyl)-2-[propan-2-yl(propyl)amino]acetamide?
N-(2-amino-4-fluorophenyl)-2-[propan-2-yl(propyl)amino]acetamide has a molecular weight of 267.35 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-2-[propan-2-yl(propyl)amino]acetamide is sourced from PubChem (CID 43269222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).