4-amino-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pentanamide;dihydrochloride

C15H21Cl2FN4O — CID 120564989

IUPAC4-amino-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NCc1ccc(-n2ccnc2)c(F)c1.Cl.Cl
InChIInChI=1S/C15H19FN4O.2ClH/c1-11(17)2-5-15(21)19-9-12-3-4-14(13(16)8-12)20-7-6-18-10-20;;/h3-4,6-8,10-11H,2,5,9,17H2,1H3,(H,19,21);2*1H
InChIKeyIOWONMLCGCPXJD-UHFFFAOYSA-N
MW363.26 g/mol
LogP2.60
Rot. Bonds6

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

4-amino-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pentanamide;dihydrochloride (PubChem CID 120564989) has the molecular formula C15H21Cl2FN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is 4-amino-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pentanamide;dihydrochloride
PubChem CID120564989
Molecular FormulaC15H21Cl2FN4O
Molecular Weight363.26 g/mol
Exact Mass362.11
IUPAC Name4-amino-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NCc1ccc(-n2ccnc2)c(F)c1.Cl.Cl
InChIInChI=1S/C15H19FN4O.2ClH/c1-11(17)2-5-15(21)19-9-12-3-4-14(13(16)8-12)20-7-6-18-10-20;;/h3-4,6-8,10-11H,2,5,9,17H2,1H3,(H,19,21);2*1H
InChIKeyIOWONMLCGCPXJD-UHFFFAOYSA-N
XLogP2.60
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47737914
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86843766
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119863385
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 47933184
3-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-fluorophenyl)-1-methylurea
CID 166194769
4-acetamido-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide
CID 60584832
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,4,5-trimethoxybenzamide
CID 60584920
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47933212
3,4-diethoxy-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide
CID 47799517
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119863400
1-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 49127727
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]acetamide
CID 47073790

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pentanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pentanamide;dihydrochloride (CID 120564989) is 4-amino-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pentanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pentanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pentanamide;dihydrochloride is CC(N)CCC(=O)NCc1ccc(-n2ccnc2)c(F)c1.Cl.Cl.
What is the InChIKey of 4-amino-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pentanamide;dihydrochloride?
The InChIKey is IOWONMLCGCPXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O.2ClH/c1-11(17)2-5-15(21)19-9-12-3-4-14(13(16)8-12)20-7-6-18-10-20;;/h3-4,6-8,10-11H,2,5,9,17H2,1H3,(H,19,21);2*1H.
What are the key properties of 4-amino-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pentanamide;dihydrochloride?
4-amino-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pentanamide;dihydrochloride has a molecular weight of 363.26 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pentanamide;dihydrochloride is sourced from PubChem (CID 120564989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).