3-fluoro-5-[(2-imidazol-1-ylacetyl)amino]-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide

C18H19FN6O2 — CID 176504765

IUPAC3-fluoro-5-[(2-imidazol-1-ylacetyl)amino]-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
SMILESCn1nccc1CCNC(=O)c1cc(F)cc(NC(=O)Cn2ccnc2)c1
InChIInChI=1S/C18H19FN6O2/c1-24-16(3-5-22-24)2-4-21-18(27)13-8-14(19)10-15(9-13)23-17(26)11-25-7-6-20-12-25/h3,5-10,12H,2,4,11H2,1H3,(H,21,27)(H,23,26)
InChIKeyUBWSHPRCMIHOOZ-UHFFFAOYSA-N
MW370.39 g/mol
LogP1.37
Rot. Bonds7

About 3-fluoro-5-[(2-imidazol-1-ylacetyl)amino]-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide

3-fluoro-5-[(2-imidazol-1-ylacetyl)amino]-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide (PubChem CID 176504765) has the molecular formula C18H19FN6O2 and a molecular weight of 370.39 g/mol. Its IUPAC name is 3-fluoro-5-[(2-imidazol-1-ylacetyl)amino]-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-5-[(2-imidazol-1-ylacetyl)amino]-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
PubChem CID176504765
Molecular FormulaC18H19FN6O2
Molecular Weight370.39 g/mol
Exact Mass370.16
IUPAC Name3-fluoro-5-[(2-imidazol-1-ylacetyl)amino]-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
SMILESCn1nccc1CCNC(=O)c1cc(F)cc(NC(=O)Cn2ccnc2)c1
InChIInChI=1S/C18H19FN6O2/c1-24-16(3-5-22-24)2-4-21-18(27)13-8-14(19)10-15(9-13)23-17(26)11-25-7-6-20-12-25/h3,5-10,12H,2,4,11H2,1H3,(H,21,27)(H,23,26)
InChIKeyUBWSHPRCMIHOOZ-UHFFFAOYSA-N
XLogP1.37
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trifluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 104693722
3-amino-4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103004100
3-amino-4-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103004037
2-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
CID 104693681
2-amino-6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
CID 104694768
5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide
CID 104693664
4-(ethylamino)-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103011268
2,5-dihydroxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 107723981
2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propylpyridine-4-carboxamide
CID 103005653
2-imidazol-1-yl-N-[4-(2-methylpropyl)phenyl]acetamide
CID 134220505
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
3,5-difluoro-N-(2-imidazol-1-ylethyl)-4-(methylamino)benzamide
CID 63185767

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(2-imidazol-1-ylacetyl)amino]-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide?
The IUPAC name of 3-fluoro-5-[(2-imidazol-1-ylacetyl)amino]-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide (CID 176504765) is 3-fluoro-5-[(2-imidazol-1-ylacetyl)amino]-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-5-[(2-imidazol-1-ylacetyl)amino]-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-fluoro-5-[(2-imidazol-1-ylacetyl)amino]-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide is Cn1nccc1CCNC(=O)c1cc(F)cc(NC(=O)Cn2ccnc2)c1.
What is the InChIKey of 3-fluoro-5-[(2-imidazol-1-ylacetyl)amino]-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide?
The InChIKey is UBWSHPRCMIHOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O2/c1-24-16(3-5-22-24)2-4-21-18(27)13-8-14(19)10-15(9-13)23-17(26)11-25-7-6-20-12-25/h3,5-10,12H,2,4,11H2,1H3,(H,21,27)(H,23,26).
What are the key properties of 3-fluoro-5-[(2-imidazol-1-ylacetyl)amino]-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide?
3-fluoro-5-[(2-imidazol-1-ylacetyl)amino]-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide has a molecular weight of 370.39 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(2-imidazol-1-ylacetyl)amino]-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 176504765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).