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

C19H17F7N2O — CID 142710046

IUPACN-[2-[3-amino-1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentan-3-yl]phenyl]benzamide
SMILESCCC(N)(c1ccccc1NC(=O)c1ccccc1)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H17F7N2O/c1-2-16(27,17(20,18(21,22)23)19(24,25)26)13-10-6-7-11-14(13)28-15(29)12-8-4-3-5-9-12/h3-11H,2,27H2,1H3,(H,28,29)
InChIKeyVPZRHUYBLBDYQS-UHFFFAOYSA-N
MW422.34 g/mol
LogP5.34
Rot. Bonds5

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

N-[2-[3-amino-1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentan-3-yl]phenyl]benzamide (PubChem CID 142710046) has the molecular formula C19H17F7N2O and a molecular weight of 422.34 g/mol. Its IUPAC name is N-[2-[3-amino-1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentan-3-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[3-amino-1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentan-3-yl]phenyl]benzamide
PubChem CID142710046
Molecular FormulaC19H17F7N2O
Molecular Weight422.34 g/mol
Exact Mass422.12
IUPAC NameN-[2-[3-amino-1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentan-3-yl]phenyl]benzamide
SMILESCCC(N)(c1ccccc1NC(=O)c1ccccc1)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H17F7N2O/c1-2-16(27,17(20,18(21,22)23)19(24,25)26)13-10-6-7-11-14(13)28-15(29)12-8-4-3-5-9-12/h3-11H,2,27H2,1H3,(H,28,29)
InChIKeyVPZRHUYBLBDYQS-UHFFFAOYSA-N
XLogP5.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.34
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 610570
N-[2-[1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentan-3-yl]phenyl]benzamide
CID 142710044
4-phenoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 16651583
1-N-[2-(dimethylamino)ethyl]-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109053233
N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756505
3,5-diamino-N-[2-(trifluoromethyl)phenyl]benzamide
CID 61091393
1-N-benzyl-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109054164
N-[2-(methylamino)phenyl]benzamide
CID 101444547
1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 19579044
N-(2-tert-butylphenyl)-4-iodobenzamide
CID 60628050
2-amino-N-(2-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79797089
N-(2-tert-butylphenyl)-4-(trifluoromethoxy)benzamide
CID 2441416

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-amino-1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentan-3-yl]phenyl]benzamide?
The IUPAC name of N-[2-[3-amino-1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentan-3-yl]phenyl]benzamide (CID 142710046) is N-[2-[3-amino-1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentan-3-yl]phenyl]benzamide.
What is the SMILES notation for N-[2-[3-amino-1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentan-3-yl]phenyl]benzamide?
The canonical SMILES for N-[2-[3-amino-1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentan-3-yl]phenyl]benzamide is CCC(N)(c1ccccc1NC(=O)c1ccccc1)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[2-[3-amino-1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentan-3-yl]phenyl]benzamide?
The InChIKey is VPZRHUYBLBDYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F7N2O/c1-2-16(27,17(20,18(21,22)23)19(24,25)26)13-10-6-7-11-14(13)28-15(29)12-8-4-3-5-9-12/h3-11H,2,27H2,1H3,(H,28,29).
What are the key properties of N-[2-[3-amino-1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentan-3-yl]phenyl]benzamide?
N-[2-[3-amino-1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentan-3-yl]phenyl]benzamide has a molecular weight of 422.34 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-amino-1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentan-3-yl]phenyl]benzamide is sourced from PubChem (CID 142710046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).