N-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]formamide

C15H12F3NO — CID 102337966

IUPACN-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]formamide
SMILESCc1cccc(-c2ccc(C(F)(F)F)cc2)c1NC=O
InChIInChI=1S/C15H12F3NO/c1-10-3-2-4-13(14(10)19-9-20)11-5-7-12(8-6-11)15(16,17)18/h2-9H,1H3,(H,19,20)
InChIKeyDUAQCHQSFJBETH-UHFFFAOYSA-N
MW279.26 g/mol
LogP4.25
Rot. Bonds3

About N-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]formamide

N-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]formamide (PubChem CID 102337966) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is N-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]formamide.

Molecular Properties

Compound NameN-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]formamide
PubChem CID102337966
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC NameN-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]formamide
SMILESCc1cccc(-c2ccc(C(F)(F)F)cc2)c1NC=O
InChIInChI=1S/C15H12F3NO/c1-10-3-2-4-13(14(10)19-9-20)11-5-7-12(8-6-11)15(16,17)18/h2-9H,1H3,(H,19,20)
InChIKeyDUAQCHQSFJBETH-UHFFFAOYSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]formamide?
The IUPAC name of N-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]formamide (CID 102337966) is N-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]formamide.
What is the SMILES notation for N-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]formamide?
The canonical SMILES for N-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]formamide is Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1NC=O.
What is the InChIKey of N-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]formamide?
The InChIKey is DUAQCHQSFJBETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c1-10-3-2-4-13(14(10)19-9-20)11-5-7-12(8-6-11)15(16,17)18/h2-9H,1H3,(H,19,20).
What are the key properties of N-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]formamide?
N-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]formamide has a molecular weight of 279.26 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]formamide is sourced from PubChem (CID 102337966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).