N'-(6-methylnaphthalen-1-yl)-4-(trifluoromethyl)benzenecarboximidamide

C19H15F3N2 — CID 161174959

IUPACN'-(6-methylnaphthalen-1-yl)-4-(trifluoromethyl)benzenecarboximidamide
SMILESCc1ccc2c(/N=C(\N)c3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C19H15F3N2/c1-12-5-10-16-14(11-12)3-2-4-17(16)24-18(23)13-6-8-15(9-7-13)19(20,21)22/h2-11H,1H3,(H2,23,24)
InChIKeyURRIAVCDJCUNPA-UHFFFAOYSA-N
MW328.34 g/mol
LogP5.20
Rot. Bonds2

About N'-(6-methylnaphthalen-1-yl)-4-(trifluoromethyl)benzenecarboximidamide

N'-(6-methylnaphthalen-1-yl)-4-(trifluoromethyl)benzenecarboximidamide (PubChem CID 161174959) has the molecular formula C19H15F3N2 and a molecular weight of 328.34 g/mol. Its IUPAC name is N'-(6-methylnaphthalen-1-yl)-4-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(6-methylnaphthalen-1-yl)-4-(trifluoromethyl)benzenecarboximidamide
PubChem CID161174959
Molecular FormulaC19H15F3N2
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC NameN'-(6-methylnaphthalen-1-yl)-4-(trifluoromethyl)benzenecarboximidamide
SMILESCc1ccc2c(/N=C(\N)c3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C19H15F3N2/c1-12-5-10-16-14(11-12)3-2-4-17(16)24-18(23)13-6-8-15(9-7-13)19(20,21)22/h2-11H,1H3,(H2,23,24)
InChIKeyURRIAVCDJCUNPA-UHFFFAOYSA-N
XLogP5.20
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.34
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

10-methyl-3-(trifluoromethyl)naphtho[1,2-b]phenanthrene
CID 58426666
N'-pyridin-2-yl-4-(trifluoromethyl)benzenecarboximidamide
CID 175066088
1-methyl-4-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 101368482
3-(4-methylphenyl)-10-[4-(trifluoromethyl)phenyl]picene
CID 58426560
4-tert-butyl-N'-(2-ethylphenyl)benzenecarboximidamide
CID 121403211
4-(6-methylnaphthalen-1-yl)benzoic acid
CID 139920032
1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070
1-methyl-2-naphthalen-1-yl-1-[3-(trifluoromethyl)phenyl]guanidine
CID 18752006
4-methyl-N'-naphthalen-2-ylbenzenecarboximidamide
CID 12647669
1-[2-methylsulfanyl-5-(trifluoromethyl)phenyl]-2-naphthalen-1-ylguanidine
CID 22120056
2-methyl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 162565704
6-methyl-2-[4-(trifluoromethyl)phenyl]isoquinolin-1-one
CID 144586770

Frequently Asked Questions

What is the IUPAC name of N'-(6-methylnaphthalen-1-yl)-4-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N'-(6-methylnaphthalen-1-yl)-4-(trifluoromethyl)benzenecarboximidamide (CID 161174959) is N'-(6-methylnaphthalen-1-yl)-4-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N'-(6-methylnaphthalen-1-yl)-4-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N'-(6-methylnaphthalen-1-yl)-4-(trifluoromethyl)benzenecarboximidamide is Cc1ccc2c(/N=C(\N)c3ccc(C(F)(F)F)cc3)cccc2c1.
What is the InChIKey of N'-(6-methylnaphthalen-1-yl)-4-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is URRIAVCDJCUNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2/c1-12-5-10-16-14(11-12)3-2-4-17(16)24-18(23)13-6-8-15(9-7-13)19(20,21)22/h2-11H,1H3,(H2,23,24).
What are the key properties of N'-(6-methylnaphthalen-1-yl)-4-(trifluoromethyl)benzenecarboximidamide?
N'-(6-methylnaphthalen-1-yl)-4-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 328.34 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-methylnaphthalen-1-yl)-4-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 161174959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).