N-(3-amino-4-fluorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide

C14H22FN3O — CID 43295418

IUPACN-(3-amino-4-fluorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
SMILESCCC(C)CN(C)CC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C14H22FN3O/c1-4-10(2)8-18(3)9-14(19)17-11-5-6-12(15)13(16)7-11/h5-7,10H,4,8-9,16H2,1-3H3,(H,17,19)
InChIKeyZQMZSOURJHQLQN-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.32
Rot. Bonds6

About N-(3-amino-4-fluorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide

N-(3-amino-4-fluorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide (PubChem CID 43295418) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
PubChem CID43295418
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC NameN-(3-amino-4-fluorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
SMILESCCC(C)CN(C)CC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C14H22FN3O/c1-4-10(2)8-18(3)9-14(19)17-11-5-6-12(15)13(16)7-11/h5-7,10H,4,8-9,16H2,1-3H3,(H,17,19)
InChIKeyZQMZSOURJHQLQN-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
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-(3-amino-4-fluorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide
CID 43295364
N-(4-aminophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43295413
2-[[2-(3-amino-4-fluoroanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374534
N-(3-amino-4-fluorophenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide
CID 63225825
N-(3-amino-4-fluorophenyl)-2-methylbutanamide
CID 16795322
N-(2-amino-4,6-dichlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43295373
N-(3-amino-4-fluorophenyl)-3-(2-methylbutylsulfinyl)propanamide
CID 107753784
N-(3-amino-4-fluorophenyl)-2-(dibutylamino)acetamide
CID 28982408
N-(3-amino-4-fluorophenyl)-3-[butyl(methyl)amino]propanamide
CID 18071143
N-(3-amino-4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]acetamide
CID 79477796
N-(3-amino-4-fluorophenyl)-3-butan-2-yloxypropanamide
CID 54943572
N-(5-amino-2-chlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43376037

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide (CID 43295418) is N-(3-amino-4-fluorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide is CCC(C)CN(C)CC(=O)Nc1ccc(F)c(N)c1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide?
The InChIKey is ZQMZSOURJHQLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-4-10(2)8-18(3)9-14(19)17-11-5-6-12(15)13(16)7-11/h5-7,10H,4,8-9,16H2,1-3H3,(H,17,19).
What are the key properties of N-(3-amino-4-fluorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide?
N-(3-amino-4-fluorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide has a molecular weight of 267.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide is sourced from PubChem (CID 43295418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).