3-fluoro-N,2-dimethyl-N-(2-phenylphenyl)-5-(trifluoromethyl)benzamide

C22H17F4NO — CID 67626840

IUPAC3-fluoro-N,2-dimethyl-N-(2-phenylphenyl)-5-(trifluoromethyl)benzamide
SMILESCc1c(F)cc(C(F)(F)F)cc1C(=O)N(C)c1ccccc1-c1ccccc1
InChIInChI=1S/C22H17F4NO/c1-14-18(12-16(13-19(14)23)22(24,25)26)21(28)27(2)20-11-7-6-10-17(20)15-8-4-3-5-9-15/h3-13H,1-2H3
InChIKeyKKEUMGBXSJFRSY-UHFFFAOYSA-N
MW387.38 g/mol
LogP6.10
Rot. Bonds3

About 3-fluoro-N,2-dimethyl-N-(2-phenylphenyl)-5-(trifluoromethyl)benzamide

3-fluoro-N,2-dimethyl-N-(2-phenylphenyl)-5-(trifluoromethyl)benzamide (PubChem CID 67626840) has the molecular formula C22H17F4NO and a molecular weight of 387.38 g/mol. Its IUPAC name is 3-fluoro-N,2-dimethyl-N-(2-phenylphenyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N,2-dimethyl-N-(2-phenylphenyl)-5-(trifluoromethyl)benzamide
PubChem CID67626840
Molecular FormulaC22H17F4NO
Molecular Weight387.38 g/mol
Exact Mass387.12
IUPAC Name3-fluoro-N,2-dimethyl-N-(2-phenylphenyl)-5-(trifluoromethyl)benzamide
SMILESCc1c(F)cc(C(F)(F)F)cc1C(=O)N(C)c1ccccc1-c1ccccc1
InChIInChI=1S/C22H17F4NO/c1-14-18(12-16(13-19(14)23)22(24,25)26)21(28)27(2)20-11-7-6-10-17(20)15-8-4-3-5-9-15/h3-13H,1-2H3
InChIKeyKKEUMGBXSJFRSY-UHFFFAOYSA-N
XLogP6.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.38
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,2-dimethyl-N-(2-phenylphenyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-fluoro-N,2-dimethyl-N-(2-phenylphenyl)-5-(trifluoromethyl)benzamide (CID 67626840) is 3-fluoro-N,2-dimethyl-N-(2-phenylphenyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-fluoro-N,2-dimethyl-N-(2-phenylphenyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-fluoro-N,2-dimethyl-N-(2-phenylphenyl)-5-(trifluoromethyl)benzamide is Cc1c(F)cc(C(F)(F)F)cc1C(=O)N(C)c1ccccc1-c1ccccc1.
What is the InChIKey of 3-fluoro-N,2-dimethyl-N-(2-phenylphenyl)-5-(trifluoromethyl)benzamide?
The InChIKey is KKEUMGBXSJFRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4NO/c1-14-18(12-16(13-19(14)23)22(24,25)26)21(28)27(2)20-11-7-6-10-17(20)15-8-4-3-5-9-15/h3-13H,1-2H3.
What are the key properties of 3-fluoro-N,2-dimethyl-N-(2-phenylphenyl)-5-(trifluoromethyl)benzamide?
3-fluoro-N,2-dimethyl-N-(2-phenylphenyl)-5-(trifluoromethyl)benzamide has a molecular weight of 387.38 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,2-dimethyl-N-(2-phenylphenyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 67626840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).