N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-imidazol-1-ylpropanamide

C15H16FN3O2 — CID 166200780

IUPACN-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-imidazol-1-ylpropanamide
SMILESO=C(CCn1ccnc1)NC1CCOc2ccc(F)cc21
InChIInChI=1S/C15H16FN3O2/c16-11-1-2-14-12(9-11)13(4-8-21-14)18-15(20)3-6-19-7-5-17-10-19/h1-2,5,7,9-10,13H,3-4,6,8H2,(H,18,20)
InChIKeyLPADVPRKCWLXMF-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.05
Rot. Bonds4

About N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-imidazol-1-ylpropanamide

N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-imidazol-1-ylpropanamide (PubChem CID 166200780) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-imidazol-1-ylpropanamide
PubChem CID166200780
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC NameN-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-imidazol-1-ylpropanamide
SMILESO=C(CCn1ccnc1)NC1CCOc2ccc(F)cc21
InChIInChI=1S/C15H16FN3O2/c16-11-1-2-14-12(9-11)13(4-8-21-14)18-15(20)3-6-19-7-5-17-10-19/h1-2,5,7,9-10,13H,3-4,6,8H2,(H,18,20)
InChIKeyLPADVPRKCWLXMF-UHFFFAOYSA-N
XLogP2.05
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-imidazol-1-ylpropanamide 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

6-fluoro-N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461660
1-[2-(dimethylamino)ethyl]-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazole-3-carboxamide
CID 138004756
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazine-2-carboxamide
CID 110750976
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide
CID 110751259
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)cyclohexanecarboxamide
CID 110751256
1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-propylurea
CID 110750885
(4R)-6-fluoro-N-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 124699924
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 31336256
N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
CID 95618463
N-(3,4-dihydro-2H-chromen-4-yl)-4-(imidazol-1-ylmethyl)benzamide
CID 47036571
(2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119322941
1-benzyl-3-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)urea
CID 110750884

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-imidazol-1-ylpropanamide?
The IUPAC name of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-imidazol-1-ylpropanamide (CID 166200780) is N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-imidazol-1-ylpropanamide.
What is the SMILES notation for N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-imidazol-1-ylpropanamide?
The canonical SMILES for N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-imidazol-1-ylpropanamide is O=C(CCn1ccnc1)NC1CCOc2ccc(F)cc21.
What is the InChIKey of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-imidazol-1-ylpropanamide?
The InChIKey is LPADVPRKCWLXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-11-1-2-14-12(9-11)13(4-8-21-14)18-15(20)3-6-19-7-5-17-10-19/h1-2,5,7,9-10,13H,3-4,6,8H2,(H,18,20).
What are the key properties of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-imidazol-1-ylpropanamide?
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-imidazol-1-ylpropanamide has a molecular weight of 289.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 166200780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).