4-amino-3-fluoro-N-(4-imidazol-1-ylbutyl)benzamide

C14H17FN4O — CID 62681162

IUPAC4-amino-3-fluoro-N-(4-imidazol-1-ylbutyl)benzamide
SMILESNc1ccc(C(=O)NCCCCn2ccnc2)cc1F
InChIInChI=1S/C14H17FN4O/c15-12-9-11(3-4-13(12)16)14(20)18-5-1-2-7-19-8-6-17-10-19/h3-4,6,8-10H,1-2,5,7,16H2,(H,18,20)
InChIKeyBKSHTKNPYQJGRL-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.81
Rot. Bonds6

About 4-amino-3-fluoro-N-(4-imidazol-1-ylbutyl)benzamide

4-amino-3-fluoro-N-(4-imidazol-1-ylbutyl)benzamide (PubChem CID 62681162) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-(4-imidazol-1-ylbutyl)benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-(4-imidazol-1-ylbutyl)benzamide
PubChem CID62681162
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name4-amino-3-fluoro-N-(4-imidazol-1-ylbutyl)benzamide
SMILESNc1ccc(C(=O)NCCCCn2ccnc2)cc1F
InChIInChI=1S/C14H17FN4O/c15-12-9-11(3-4-13(12)16)14(20)18-5-1-2-7-19-8-6-17-10-19/h3-4,6,8-10H,1-2,5,7,16H2,(H,18,20)
InChIKeyBKSHTKNPYQJGRL-UHFFFAOYSA-N
XLogP1.81
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-3-fluoro-N-(4-imidazol-1-ylbutyl)benzamide 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

4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545
4-fluoro-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 63212783
4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 104782388
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
2-amino-5-hydroxy-N-(4-imidazol-1-ylbutyl)benzamide
CID 107075037
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17395173
4-fluoro-N-(2-imidazol-1-ylethyl)-3-sulfanylbenzamide
CID 107024935
4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybenzamide
CID 104782700
N-(3-imidazol-1-ylpropyl)-1-methylpyridin-1-ium-4-carboxamide
CID 39847983
N-(3-imidazol-1-ylpropyl)-3-iodo-4-methylbenzamide
CID 118203012
N-(5-imidazol-1-ylpentyl)-3-methylbenzamide
CID 110441440
2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide
CID 10177866

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-(4-imidazol-1-ylbutyl)benzamide?
The IUPAC name of 4-amino-3-fluoro-N-(4-imidazol-1-ylbutyl)benzamide (CID 62681162) is 4-amino-3-fluoro-N-(4-imidazol-1-ylbutyl)benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-(4-imidazol-1-ylbutyl)benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-(4-imidazol-1-ylbutyl)benzamide is Nc1ccc(C(=O)NCCCCn2ccnc2)cc1F.
What is the InChIKey of 4-amino-3-fluoro-N-(4-imidazol-1-ylbutyl)benzamide?
The InChIKey is BKSHTKNPYQJGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c15-12-9-11(3-4-13(12)16)14(20)18-5-1-2-7-19-8-6-17-10-19/h3-4,6,8-10H,1-2,5,7,16H2,(H,18,20).
What are the key properties of 4-amino-3-fluoro-N-(4-imidazol-1-ylbutyl)benzamide?
4-amino-3-fluoro-N-(4-imidazol-1-ylbutyl)benzamide has a molecular weight of 276.31 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-(4-imidazol-1-ylbutyl)benzamide is sourced from PubChem (CID 62681162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).