N-(3-amino-4-fluorophenyl)-3-(2-ethylimidazol-1-yl)propanamide

C14H17FN4O — CID 61402367

IUPACN-(3-amino-4-fluorophenyl)-3-(2-ethylimidazol-1-yl)propanamide
SMILESCCc1nccn1CCC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C14H17FN4O/c1-2-13-17-6-8-19(13)7-5-14(20)18-10-3-4-11(15)12(16)9-10/h3-4,6,8-9H,2,5,7,16H2,1H3,(H,18,20)
InChIKeyREVDTPLRHIXJMH-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.20
Rot. Bonds5

About N-(3-amino-4-fluorophenyl)-3-(2-ethylimidazol-1-yl)propanamide

N-(3-amino-4-fluorophenyl)-3-(2-ethylimidazol-1-yl)propanamide (PubChem CID 61402367) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-3-(2-ethylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-3-(2-ethylimidazol-1-yl)propanamide
PubChem CID61402367
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC NameN-(3-amino-4-fluorophenyl)-3-(2-ethylimidazol-1-yl)propanamide
SMILESCCc1nccn1CCC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C14H17FN4O/c1-2-13-17-6-8-19(13)7-5-14(20)18-10-3-4-11(15)12(16)9-10/h3-4,6,8-9H,2,5,7,16H2,1H3,(H,18,20)
InChIKeyREVDTPLRHIXJMH-UHFFFAOYSA-N
XLogP2.20
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-amino-4-fluorophenyl)-3-(2-ethylimidazol-1-yl)propanamide 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

N-(4-aminophenyl)-4-(2-ethylimidazol-1-yl)butanamide
CID 61402347
N-(2-amino-4-fluorophenyl)-4-(2-ethylimidazol-1-yl)butanamide
CID 61402394
N-(3-amino-4-fluorophenyl)-3-(triazol-1-yl)propanamide
CID 63257477
N-(3-amino-4-fluorophenyl)-4-pyrazol-1-ylbutanamide
CID 16790819
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3-(2-ethylimidazol-1-yl)propanamide
CID 131925545
N-(3-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60873279
N-(2-acetamido-5-methylphenyl)-3-(2-ethylimidazol-1-yl)propanamide
CID 131931278
N-(3-amino-4-fluorophenyl)-4-ethylsulfinylbutanamide
CID 61303441
N-(3-amino-4-fluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16778601
N-(3-amino-4-fluorophenyl)-3-(3-cyano-1,2,4-triazol-1-yl)propanamide
CID 62952386
N-(3-amino-4-fluorophenyl)-3-(4-methyl-6-oxopyridazin-1-yl)propanamide
CID 106548325
3-(2-ethylimidazol-1-yl)-N-[4-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]propanamide
CID 164642145

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-3-(2-ethylimidazol-1-yl)propanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-3-(2-ethylimidazol-1-yl)propanamide (CID 61402367) is N-(3-amino-4-fluorophenyl)-3-(2-ethylimidazol-1-yl)propanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-3-(2-ethylimidazol-1-yl)propanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-3-(2-ethylimidazol-1-yl)propanamide is CCc1nccn1CCC(=O)Nc1ccc(F)c(N)c1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-3-(2-ethylimidazol-1-yl)propanamide?
The InChIKey is REVDTPLRHIXJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-2-13-17-6-8-19(13)7-5-14(20)18-10-3-4-11(15)12(16)9-10/h3-4,6,8-9H,2,5,7,16H2,1H3,(H,18,20).
What are the key properties of N-(3-amino-4-fluorophenyl)-3-(2-ethylimidazol-1-yl)propanamide?
N-(3-amino-4-fluorophenyl)-3-(2-ethylimidazol-1-yl)propanamide has a molecular weight of 276.31 g/mol, XLogP of 2.20, 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)-3-(2-ethylimidazol-1-yl)propanamide is sourced from PubChem (CID 61402367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).