N-(3-fluoro-4-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride

C14H19Cl2FN4O — CID 119860271

IUPACN-(3-fluoro-4-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)Nc1ccc(-n2ccnc2)c(F)c1.Cl.Cl
InChIInChI=1S/C14H17FN4O.2ClH/c1-10(8-16-2)14(20)18-11-3-4-13(12(15)7-11)19-6-5-17-9-19;;/h3-7,9-10,16H,8H2,1-2H3,(H,18,20);2*1H
InChIKeyGHJXRGZPUFVCOQ-UHFFFAOYSA-N
MW349.24 g/mol
LogP2.65
Rot. Bonds5

About N-(3-fluoro-4-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride

N-(3-fluoro-4-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride (PubChem CID 119860271) has the molecular formula C14H19Cl2FN4O and a molecular weight of 349.24 g/mol. Its IUPAC name is N-(3-fluoro-4-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-fluoro-4-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride
PubChem CID119860271
Molecular FormulaC14H19Cl2FN4O
Molecular Weight349.24 g/mol
Exact Mass348.09
IUPAC NameN-(3-fluoro-4-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)Nc1ccc(-n2ccnc2)c(F)c1.Cl.Cl
InChIInChI=1S/C14H17FN4O.2ClH/c1-10(8-16-2)14(20)18-11-3-4-13(12(15)7-11)19-6-5-17-9-19;;/h3-7,9-10,16H,8H2,1-2H3,(H,18,20);2*1H
InChIKeyGHJXRGZPUFVCOQ-UHFFFAOYSA-N
XLogP2.65
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119731490
N-(2-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119844180
N-(3-fluoro-4-imidazol-1-ylphenyl)-4-(methylamino)butanamide;dihydrochloride
CID 119860243
(2S)-2-amino-N-(3-fluoro-4-imidazol-1-ylphenyl)-3,3-dimethylbutanamide
CID 119860264
methyl (2S)-4-(3-fluoro-4-imidazol-1-ylanilino)-2-methyl-4-oxobutanoate
CID 97019374
2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(3-fluoro-4-imidazol-1-ylphenyl)propanamide
CID 155945639
(2S)-2-(benzenesulfonamido)-N-(3-fluoro-4-imidazol-1-ylphenyl)propanamide
CID 55955653
3-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide
CID 62726630
N-(3-fluoro-4-methoxyphenyl)-2-methyl-3-(methylamino)propanamide
CID 79196660
N-(3-bromo-4-fluorophenyl)-2-methyl-3-(methylamino)propanamide
CID 115738288
N-(3-fluoro-4-imidazol-1-ylphenyl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119860261
N-(3-fluoro-4-imidazol-1-ylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55956166

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The IUPAC name of N-(3-fluoro-4-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride (CID 119860271) is N-(3-fluoro-4-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride.
What is the SMILES notation for N-(3-fluoro-4-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The canonical SMILES for N-(3-fluoro-4-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride is CNCC(C)C(=O)Nc1ccc(-n2ccnc2)c(F)c1.Cl.Cl.
What is the InChIKey of N-(3-fluoro-4-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The InChIKey is GHJXRGZPUFVCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O.2ClH/c1-10(8-16-2)14(20)18-11-3-4-13(12(15)7-11)19-6-5-17-9-19;;/h3-7,9-10,16H,8H2,1-2H3,(H,18,20);2*1H.
What are the key properties of N-(3-fluoro-4-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride?
N-(3-fluoro-4-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride has a molecular weight of 349.24 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride is sourced from PubChem (CID 119860271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).