N-(2-amino-5-fluorophenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide

C14H18FN5O — CID 63014778

IUPACN-(2-amino-5-fluorophenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide
SMILESCN(CC(=O)Nc1cc(F)ccc1N)Cc1nccn1C
InChIInChI=1S/C14H18FN5O/c1-19(8-13-17-5-6-20(13)2)9-14(21)18-12-7-10(15)3-4-11(12)16/h3-7H,8-9,16H2,1-2H3,(H,18,21)
InChIKeyBCSSCSDZOXISRH-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.21
Rot. Bonds5

About N-(2-amino-5-fluorophenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide

N-(2-amino-5-fluorophenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide (PubChem CID 63014778) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide
PubChem CID63014778
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC NameN-(2-amino-5-fluorophenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide
SMILESCN(CC(=O)Nc1cc(F)ccc1N)Cc1nccn1C
InChIInChI=1S/C14H18FN5O/c1-19(8-13-17-5-6-20(13)2)9-14(21)18-12-7-10(15)3-4-11(12)16/h3-7H,8-9,16H2,1-2H3,(H,18,21)
InChIKeyBCSSCSDZOXISRH-UHFFFAOYSA-N
XLogP1.21
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2-methylphenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide
CID 63015483
N-(4-amino-2-chlorophenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide
CID 63015664
N-(2-amino-5-fluorophenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide
CID 43612145
N-(2-amino-5-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide
CID 43611892
N-(2-amino-5-fluorophenyl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
CID 61438327
N-(2-amino-5-fluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61426421
2-[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]acetohydrazide
CID 105351792
N-(5-chloro-2-fluorophenyl)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide
CID 71986610
2-amino-N-(2-amino-5-fluorophenyl)acetamide
CID 110477650
N-(2-amino-5-fluorophenyl)-2-[butan-2-yl(ethyl)amino]acetamide
CID 43611926
5-fluoro-N'-hydroxy-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzenecarboximidamide
CID 76994264
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 60681661

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide (CID 63014778) is N-(2-amino-5-fluorophenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide is CN(CC(=O)Nc1cc(F)ccc1N)Cc1nccn1C.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide?
The InChIKey is BCSSCSDZOXISRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O/c1-19(8-13-17-5-6-20(13)2)9-14(21)18-12-7-10(15)3-4-11(12)16/h3-7H,8-9,16H2,1-2H3,(H,18,21).
What are the key properties of N-(2-amino-5-fluorophenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide?
N-(2-amino-5-fluorophenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide has a molecular weight of 291.33 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 63014778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).