4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]-N-[4-(pyridine-4-carbonyl)phenyl]benzamide

C22H14F6N2O3 — CID 28946954

IUPAC4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]-N-[4-(pyridine-4-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)c2ccncc2)cc1)c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1
InChIInChI=1S/C22H14F6N2O3/c23-20(21(24,25)26)22(27,28)33-17-7-3-15(4-8-17)19(32)30-16-5-1-13(2-6-16)18(31)14-9-11-29-12-10-14/h1-12,20H,(H,30,32)/t20-/m0/s1
InChIKeyCPXCTRJAKGOODE-FQEVSTJZSA-N
MW468.35 g/mol
LogP5.44
Rot. Bonds7

About 4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]-N-[4-(pyridine-4-carbonyl)phenyl]benzamide

4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]-N-[4-(pyridine-4-carbonyl)phenyl]benzamide (PubChem CID 28946954) has the molecular formula C22H14F6N2O3 and a molecular weight of 468.35 g/mol. Its IUPAC name is 4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]-N-[4-(pyridine-4-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]-N-[4-(pyridine-4-carbonyl)phenyl]benzamide
PubChem CID28946954
Molecular FormulaC22H14F6N2O3
Molecular Weight468.35 g/mol
Exact Mass468.09
IUPAC Name4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]-N-[4-(pyridine-4-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)c2ccncc2)cc1)c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1
InChIInChI=1S/C22H14F6N2O3/c23-20(21(24,25)26)22(27,28)33-17-7-3-15(4-8-17)19(32)30-16-5-1-13(2-6-16)18(31)14-9-11-29-12-10-14/h1-12,20H,(H,30,32)/t20-/m0/s1
InChIKeyCPXCTRJAKGOODE-FQEVSTJZSA-N
XLogP5.44
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.35
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]pyridine-3-carboxamide
CID 21203387
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 68682751
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzamide
CID 21203394
4-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzoic acid
CID 56628976
1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 171423296
N-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide
CID 18267923
N-[4-(2-chloro-1,1,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 21203373
4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 107020507
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
methyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride
CID 110756565
N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide
CID 160971562

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]-N-[4-(pyridine-4-carbonyl)phenyl]benzamide?
The IUPAC name of 4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]-N-[4-(pyridine-4-carbonyl)phenyl]benzamide (CID 28946954) is 4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]-N-[4-(pyridine-4-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]-N-[4-(pyridine-4-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]-N-[4-(pyridine-4-carbonyl)phenyl]benzamide is O=C(Nc1ccc(C(=O)c2ccncc2)cc1)c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1.
What is the InChIKey of 4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]-N-[4-(pyridine-4-carbonyl)phenyl]benzamide?
The InChIKey is CPXCTRJAKGOODE-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H14F6N2O3/c23-20(21(24,25)26)22(27,28)33-17-7-3-15(4-8-17)19(32)30-16-5-1-13(2-6-16)18(31)14-9-11-29-12-10-14/h1-12,20H,(H,30,32)/t20-/m0/s1.
What are the key properties of 4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]-N-[4-(pyridine-4-carbonyl)phenyl]benzamide?
4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]-N-[4-(pyridine-4-carbonyl)phenyl]benzamide has a molecular weight of 468.35 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]-N-[4-(pyridine-4-carbonyl)phenyl]benzamide is sourced from PubChem (CID 28946954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).