N-(2-amino-5-fluorophenyl)-2-[butan-2-yl(ethyl)amino]acetamide

C14H22FN3O — CID 43611926

IUPACN-(2-amino-5-fluorophenyl)-2-[butan-2-yl(ethyl)amino]acetamide
SMILESCCC(C)N(CC)CC(=O)Nc1cc(F)ccc1N
InChIInChI=1S/C14H22FN3O/c1-4-10(3)18(5-2)9-14(19)17-13-8-11(15)6-7-12(13)16/h6-8,10H,4-5,9,16H2,1-3H3,(H,17,19)
InChIKeyYLZAFQWBOBHNDK-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.47
Rot. Bonds6

About N-(2-amino-5-fluorophenyl)-2-[butan-2-yl(ethyl)amino]acetamide

N-(2-amino-5-fluorophenyl)-2-[butan-2-yl(ethyl)amino]acetamide (PubChem CID 43611926) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-2-[butan-2-yl(ethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-2-[butan-2-yl(ethyl)amino]acetamide
PubChem CID43611926
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC NameN-(2-amino-5-fluorophenyl)-2-[butan-2-yl(ethyl)amino]acetamide
SMILESCCC(C)N(CC)CC(=O)Nc1cc(F)ccc1N
InChIInChI=1S/C14H22FN3O/c1-4-10(3)18(5-2)9-14(19)17-13-8-11(15)6-7-12(13)16/h6-8,10H,4-5,9,16H2,1-3H3,(H,17,19)
InChIKeyYLZAFQWBOBHNDK-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'}

Analyze N-(2-amino-5-fluorophenyl)-2-[butan-2-yl(ethyl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(2-amino-5-fluorophenyl)acetamide;2-methylpropane
CID 142142758
N-(2-amino-4-fluorophenyl)-2-[propan-2-yl(propyl)amino]acetamide
CID 43269222
N-(2-amino-5-fluorophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 79384898
N-(2-amino-5-fluorophenyl)-2-butan-2-ylsulfinylacetamide
CID 61301862
N-(2-amino-5-fluorophenyl)-2-(2-propan-2-yloxyethoxy)acetamide
CID 43612006
2-amino-N-(2-amino-5-fluorophenyl)acetamide
CID 110477650
N-(2-amino-5-fluorophenyl)-2-methylpropanamide
CID 63257469
N-(2-amino-5-fluorophenyl)-3,5,5-trimethylhexanamide
CID 55169548
N-(2-amino-6-methylphenyl)-2-[butan-2-yl(ethyl)amino]acetamide
CID 43376010
N-(2-amino-5-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide
CID 43611892
N-(2-amino-5-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide
CID 104560278
2-[butan-2-yl-[2-(4-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 60832948

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-2-[butan-2-yl(ethyl)amino]acetamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-2-[butan-2-yl(ethyl)amino]acetamide (CID 43611926) is N-(2-amino-5-fluorophenyl)-2-[butan-2-yl(ethyl)amino]acetamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-2-[butan-2-yl(ethyl)amino]acetamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-2-[butan-2-yl(ethyl)amino]acetamide is CCC(C)N(CC)CC(=O)Nc1cc(F)ccc1N.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-2-[butan-2-yl(ethyl)amino]acetamide?
The InChIKey is YLZAFQWBOBHNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-4-10(3)18(5-2)9-14(19)17-13-8-11(15)6-7-12(13)16/h6-8,10H,4-5,9,16H2,1-3H3,(H,17,19).
What are the key properties of N-(2-amino-5-fluorophenyl)-2-[butan-2-yl(ethyl)amino]acetamide?
N-(2-amino-5-fluorophenyl)-2-[butan-2-yl(ethyl)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-5-fluorophenyl)-2-[butan-2-yl(ethyl)amino]acetamide is sourced from PubChem (CID 43611926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).