N-[2-fluoro-6-[N-methyl-C-(3-methylphenyl)carbonimidoyl]phenyl]acetamide

C17H17FN2O — CID 144593179

IUPACN-[2-fluoro-6-[N-methyl-C-(3-methylphenyl)carbonimidoyl]phenyl]acetamide
SMILESC/N=C(\c1cccc(C)c1)c1cccc(F)c1NC(C)=O
InChIInChI=1S/C17H17FN2O/c1-11-6-4-7-13(10-11)16(19-3)14-8-5-9-15(18)17(14)20-12(2)21/h4-10H,1-3H3,(H,20,21)/b19-16+
InChIKeyBBYPCONOPRTTQV-KNTRCKAVSA-N
MW284.33 g/mol
LogP3.56
Rot. Bonds3

About N-[2-fluoro-6-[N-methyl-C-(3-methylphenyl)carbonimidoyl]phenyl]acetamide

N-[2-fluoro-6-[N-methyl-C-(3-methylphenyl)carbonimidoyl]phenyl]acetamide (PubChem CID 144593179) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is N-[2-fluoro-6-[N-methyl-C-(3-methylphenyl)carbonimidoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-6-[N-methyl-C-(3-methylphenyl)carbonimidoyl]phenyl]acetamide
PubChem CID144593179
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC NameN-[2-fluoro-6-[N-methyl-C-(3-methylphenyl)carbonimidoyl]phenyl]acetamide
SMILESC/N=C(\c1cccc(C)c1)c1cccc(F)c1NC(C)=O
InChIInChI=1S/C17H17FN2O/c1-11-6-4-7-13(10-11)16(19-3)14-8-5-9-15(18)17(14)20-12(2)21/h4-10H,1-3H3,(H,20,21)/b19-16+
InChIKeyBBYPCONOPRTTQV-KNTRCKAVSA-N
XLogP3.56
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-6-[N-methyl-C-(3-methylphenyl)carbonimidoyl]phenyl]acetamide?
The IUPAC name of N-[2-fluoro-6-[N-methyl-C-(3-methylphenyl)carbonimidoyl]phenyl]acetamide (CID 144593179) is N-[2-fluoro-6-[N-methyl-C-(3-methylphenyl)carbonimidoyl]phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-6-[N-methyl-C-(3-methylphenyl)carbonimidoyl]phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-6-[N-methyl-C-(3-methylphenyl)carbonimidoyl]phenyl]acetamide is C/N=C(\c1cccc(C)c1)c1cccc(F)c1NC(C)=O.
What is the InChIKey of N-[2-fluoro-6-[N-methyl-C-(3-methylphenyl)carbonimidoyl]phenyl]acetamide?
The InChIKey is BBYPCONOPRTTQV-KNTRCKAVSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-11-6-4-7-13(10-11)16(19-3)14-8-5-9-15(18)17(14)20-12(2)21/h4-10H,1-3H3,(H,20,21)/b19-16+.
What are the key properties of N-[2-fluoro-6-[N-methyl-C-(3-methylphenyl)carbonimidoyl]phenyl]acetamide?
N-[2-fluoro-6-[N-methyl-C-(3-methylphenyl)carbonimidoyl]phenyl]acetamide has a molecular weight of 284.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-6-[N-methyl-C-(3-methylphenyl)carbonimidoyl]phenyl]acetamide is sourced from PubChem (CID 144593179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).