N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-4-yl]formamide

C18H17F3N2O — CID 155732756

IUPACN-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-4-yl]formamide
SMILESO=CNC1CCN(Cc2ccc(C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C18H17F3N2O/c19-18(20,21)14-7-5-13(6-8-14)11-23-10-9-16(22-12-24)15-3-1-2-4-17(15)23/h1-8,12,16H,9-11H2,(H,22,24)
InChIKeySAQQBCWIHYMERH-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.90
Rot. Bonds4

About N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-4-yl]formamide

N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-4-yl]formamide (PubChem CID 155732756) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-4-yl]formamide.

Molecular Properties

Compound NameN-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-4-yl]formamide
PubChem CID155732756
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC NameN-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-4-yl]formamide
SMILESO=CNC1CCN(Cc2ccc(C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C18H17F3N2O/c19-18(20,21)14-7-5-13(6-8-14)11-23-10-9-16(22-12-24)15-3-1-2-4-17(15)23/h1-8,12,16H,9-11H2,(H,22,24)
InChIKeySAQQBCWIHYMERH-UHFFFAOYSA-N
XLogP3.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-4-yl]formamide?
The IUPAC name of N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-4-yl]formamide (CID 155732756) is N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-4-yl]formamide.
What is the SMILES notation for N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-4-yl]formamide?
The canonical SMILES for N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-4-yl]formamide is O=CNC1CCN(Cc2ccc(C(F)(F)F)cc2)c2ccccc21.
What is the InChIKey of N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-4-yl]formamide?
The InChIKey is SAQQBCWIHYMERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O/c19-18(20,21)14-7-5-13(6-8-14)11-23-10-9-16(22-12-24)15-3-1-2-4-17(15)23/h1-8,12,16H,9-11H2,(H,22,24).
What are the key properties of N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-4-yl]formamide?
N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-4-yl]formamide has a molecular weight of 334.34 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-4-yl]formamide is sourced from PubChem (CID 155732756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).