N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide

C17H17FN2O — CID 106901584

IUPACN-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESCc1cc(F)cc(NC(=O)C2CNc3ccccc3C2)c1
InChIInChI=1S/C17H17FN2O/c1-11-6-14(18)9-15(7-11)20-17(21)13-8-12-4-2-3-5-16(12)19-10-13/h2-7,9,13,19H,8,10H2,1H3,(H,20,21)
InChIKeyPIDFDEZQMISXTG-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.36
Rot. Bonds2

About N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide

N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide (PubChem CID 106901584) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
PubChem CID106901584
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC NameN-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESCc1cc(F)cc(NC(=O)C2CNc3ccccc3C2)c1
InChIInChI=1S/C17H17FN2O/c1-11-6-14(18)9-15(7-11)20-17(21)13-8-12-4-2-3-5-16(12)19-10-13/h2-7,9,13,19H,8,10H2,1H3,(H,20,21)
InChIKeyPIDFDEZQMISXTG-UHFFFAOYSA-N
XLogP3.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901165
N-(3-fluoro-5-methylphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567216
N-(2-bromo-4-fluorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901205
N-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901174
N-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901173
N-(3-fluoro-5-methylphenyl)cyclopropanecarboxamide
CID 79047928
N-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901161
N-pyridazin-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901781
N-(5-ethyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901710
N-(3-hydroxy-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901707
N-(2-chloro-4-iodophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901274
N-(3-fluoro-5-methylphenyl)piperidine-3-carboxamide
CID 79050344

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide (CID 106901584) is N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide is Cc1cc(F)cc(NC(=O)C2CNc3ccccc3C2)c1.
What is the InChIKey of N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The InChIKey is PIDFDEZQMISXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-11-6-14(18)9-15(7-11)20-17(21)13-8-12-4-2-3-5-16(12)19-10-13/h2-7,9,13,19H,8,10H2,1H3,(H,20,21).
What are the key properties of N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide has a molecular weight of 284.33 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 106901584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).