N-decyl-N-methyl-3-(trifluoromethyl)benzamide

C19H28F3NO — CID 532933

IUPACN-decyl-N-methyl-3-(trifluoromethyl)benzamide
SMILESCCCCCCCCCCN(C)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H28F3NO/c1-3-4-5-6-7-8-9-10-14-23(2)18(24)16-12-11-13-17(15-16)19(20,21)22/h11-13,15H,3-10,14H2,1-2H3
InChIKeyTWJGFFUTKAJMAM-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.92
Rot. Bonds10

About N-decyl-N-methyl-3-(trifluoromethyl)benzamide

N-decyl-N-methyl-3-(trifluoromethyl)benzamide (PubChem CID 532933) has the molecular formula C19H28F3NO and a molecular weight of 343.43 g/mol. Its IUPAC name is N-decyl-N-methyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-decyl-N-methyl-3-(trifluoromethyl)benzamide
PubChem CID532933
Molecular FormulaC19H28F3NO
Molecular Weight343.43 g/mol
Exact Mass343.21
IUPAC NameN-decyl-N-methyl-3-(trifluoromethyl)benzamide
SMILESCCCCCCCCCCN(C)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H28F3NO/c1-3-4-5-6-7-8-9-10-14-23(2)18(24)16-12-11-13-17(15-16)19(20,21)22/h11-13,15H,3-10,14H2,1-2H3
InChIKeyTWJGFFUTKAJMAM-UHFFFAOYSA-N
XLogP5.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-decyl-N-methyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-decyl-N-methyl-3-(trifluoromethyl)benzamide (CID 532933) is N-decyl-N-methyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-decyl-N-methyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-decyl-N-methyl-3-(trifluoromethyl)benzamide is CCCCCCCCCCN(C)C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-decyl-N-methyl-3-(trifluoromethyl)benzamide?
The InChIKey is TWJGFFUTKAJMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3NO/c1-3-4-5-6-7-8-9-10-14-23(2)18(24)16-12-11-13-17(15-16)19(20,21)22/h11-13,15H,3-10,14H2,1-2H3.
What are the key properties of N-decyl-N-methyl-3-(trifluoromethyl)benzamide?
N-decyl-N-methyl-3-(trifluoromethyl)benzamide has a molecular weight of 343.43 g/mol, XLogP of 5.92, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-N-methyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 532933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).