N-(5-fluoro-2-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide

C17H18FN3O2 — CID 46360907

IUPACN-(5-fluoro-2-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
SMILESCc1ccc(F)cc1NC(=O)Cn1nc2c(cc1=O)CCCC2
InChIInChI=1S/C17H18FN3O2/c1-11-6-7-13(18)9-15(11)19-16(22)10-21-17(23)8-12-4-2-3-5-14(12)20-21/h6-9H,2-5,10H2,1H3,(H,19,22)
InChIKeySNJBKYQFHWMTJJ-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.21
Rot. Bonds3

About N-(5-fluoro-2-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide

N-(5-fluoro-2-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide (PubChem CID 46360907) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
PubChem CID46360907
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
SMILESCc1ccc(F)cc1NC(=O)Cn1nc2c(cc1=O)CCCC2
InChIInChI=1S/C17H18FN3O2/c1-11-6-7-13(18)9-15(11)19-16(22)10-21-17(23)8-12-4-2-3-5-14(12)20-21/h6-9H,2-5,10H2,1H3,(H,19,22)
InChIKeySNJBKYQFHWMTJJ-UHFFFAOYSA-N
XLogP2.21
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide (CID 46360907) is N-(5-fluoro-2-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide is Cc1ccc(F)cc1NC(=O)Cn1nc2c(cc1=O)CCCC2.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The InChIKey is SNJBKYQFHWMTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-11-6-7-13(18)9-15(11)19-16(22)10-21-17(23)8-12-4-2-3-5-14(12)20-21/h6-9H,2-5,10H2,1H3,(H,19,22).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
N-(5-fluoro-2-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide has a molecular weight of 315.35 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide is sourced from PubChem (CID 46360907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).