N-[2-[1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentan-3-yl]phenyl]benzamide

C19H16F7NO — CID 142710044

IUPACN-[2-[1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentan-3-yl]phenyl]benzamide
SMILESCCC(c1ccccc1NC(=O)c1ccccc1)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H16F7NO/c1-2-14(17(20,18(21,22)23)19(24,25)26)13-10-6-7-11-15(13)27-16(28)12-8-4-3-5-9-12/h3-11,14H,2H2,1H3,(H,27,28)
InChIKeyCOVRITONJDXOIY-UHFFFAOYSA-N
MW407.33 g/mol
LogP6.27
Rot. Bonds5

About N-[2-[1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentan-3-yl]phenyl]benzamide

N-[2-[1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentan-3-yl]phenyl]benzamide (PubChem CID 142710044) has the molecular formula C19H16F7NO and a molecular weight of 407.33 g/mol. Its IUPAC name is N-[2-[1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentan-3-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentan-3-yl]phenyl]benzamide
PubChem CID142710044
Molecular FormulaC19H16F7NO
Molecular Weight407.33 g/mol
Exact Mass407.11
IUPAC NameN-[2-[1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentan-3-yl]phenyl]benzamide
SMILESCCC(c1ccccc1NC(=O)c1ccccc1)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H16F7NO/c1-2-14(17(20,18(21,22)23)19(24,25)26)13-10-6-7-11-15(13)27-16(28)12-8-4-3-5-9-12/h3-11,14H,2H2,1H3,(H,27,28)
InChIKeyCOVRITONJDXOIY-UHFFFAOYSA-N
XLogP6.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.33
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-[2-[3-amino-1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentan-3-yl]phenyl]benzamide
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CID 2670800
4-bromo-N-[2-(1-bromoethyl)phenyl]benzamide
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CID 53309820

Frequently Asked Questions

What is the IUPAC name of N-[2-[1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentan-3-yl]phenyl]benzamide?
The IUPAC name of N-[2-[1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentan-3-yl]phenyl]benzamide (CID 142710044) is N-[2-[1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentan-3-yl]phenyl]benzamide.
What is the SMILES notation for N-[2-[1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentan-3-yl]phenyl]benzamide?
The canonical SMILES for N-[2-[1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentan-3-yl]phenyl]benzamide is CCC(c1ccccc1NC(=O)c1ccccc1)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[2-[1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentan-3-yl]phenyl]benzamide?
The InChIKey is COVRITONJDXOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F7NO/c1-2-14(17(20,18(21,22)23)19(24,25)26)13-10-6-7-11-15(13)27-16(28)12-8-4-3-5-9-12/h3-11,14H,2H2,1H3,(H,27,28).
What are the key properties of N-[2-[1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentan-3-yl]phenyl]benzamide?
N-[2-[1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentan-3-yl]phenyl]benzamide has a molecular weight of 407.33 g/mol, XLogP of 6.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentan-3-yl]phenyl]benzamide is sourced from PubChem (CID 142710044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).