N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride

C15H19Cl2FN4O — CID 119863400

IUPACN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1ccc(-n2ccnc2)c(F)c1)C1CCNC1
InChIInChI=1S/C15H17FN4O.2ClH/c16-13-7-11(1-2-14(13)20-6-5-18-10-20)8-19-15(21)12-3-4-17-9-12;;/h1-2,5-7,10,12,17H,3-4,8-9H2,(H,19,21);2*1H
InChIKeyVAVFUSKXOHZPHN-UHFFFAOYSA-N
MW361.25 g/mol
LogP2.08
Rot. Bonds4

About N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119863400) has the molecular formula C15H19Cl2FN4O and a molecular weight of 361.25 g/mol. Its IUPAC name is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119863400
Molecular FormulaC15H19Cl2FN4O
Molecular Weight361.25 g/mol
Exact Mass360.09
IUPAC NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1ccc(-n2ccnc2)c(F)c1)C1CCNC1
InChIInChI=1S/C15H17FN4O.2ClH/c16-13-7-11(1-2-14(13)20-6-5-18-10-20)8-19-15(21)12-3-4-17-9-12;;/h1-2,5-7,10,12,17H,3-4,8-9H2,(H,19,21);2*1H
InChIKeyVAVFUSKXOHZPHN-UHFFFAOYSA-N
XLogP2.08
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124703470
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119863385
(2S,4S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methoxypyrrolidine-2-carboxamide;dihydrochloride
CID 128981767
cis-(1R,2S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 95192041
4-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509822
N-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 63006866
3-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-fluorophenyl)-1-methylurea
CID 166194769
4-amino-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pentanamide;dihydrochloride
CID 120564989
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47933212
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 47799467
N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]cyclopropanecarboxamide
CID 68873168
N-[(3,4-difluorophenyl)methyl]piperidine-4-carboxamide
CID 54967962

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride (CID 119863400) is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(NCc1ccc(-n2ccnc2)c(F)c1)C1CCNC1.
What is the InChIKey of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is VAVFUSKXOHZPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O.2ClH/c16-13-7-11(1-2-14(13)20-6-5-18-10-20)8-19-15(21)12-3-4-17-9-12;;/h1-2,5-7,10,12,17H,3-4,8-9H2,(H,19,21);2*1H.
What are the key properties of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride?
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 361.25 g/mol, XLogP of 2.08, 4 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)methyl]pyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119863400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).