N-[2,2-difluoro-2-[4-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide

C23H14F9NO — CID 121304779

IUPACN-[2,2-difluoro-2-[4-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCC(F)(F)c1ccc(-c2ccc(F)cc2)cc1C(F)(F)F)c1ccccc1C(F)(F)F
InChIInChI=1S/C23H14F9NO/c24-15-8-5-13(6-9-15)14-7-10-18(19(11-14)23(30,31)32)21(25,26)12-33-20(34)16-3-1-2-4-17(16)22(27,28)29/h1-11H,12H2,(H,33,34)
InChIKeyPTOPWVMZCCSJJK-UHFFFAOYSA-N
MW491.35 g/mol
LogP7.05
Rot. Bonds5

About N-[2,2-difluoro-2-[4-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide

N-[2,2-difluoro-2-[4-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide (PubChem CID 121304779) has the molecular formula C23H14F9NO and a molecular weight of 491.35 g/mol. Its IUPAC name is N-[2,2-difluoro-2-[4-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2,2-difluoro-2-[4-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
PubChem CID121304779
Molecular FormulaC23H14F9NO
Molecular Weight491.35 g/mol
Exact Mass491.09
IUPAC NameN-[2,2-difluoro-2-[4-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCC(F)(F)c1ccc(-c2ccc(F)cc2)cc1C(F)(F)F)c1ccccc1C(F)(F)F
InChIInChI=1S/C23H14F9NO/c24-15-8-5-13(6-9-15)14-7-10-18(19(11-14)23(30,31)32)21(25,26)12-33-20(34)16-3-1-2-4-17(16)22(27,28)29/h1-11H,12H2,(H,33,34)
InChIKeyPTOPWVMZCCSJJK-UHFFFAOYSA-N
XLogP7.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.35
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2,2-difluoro-2-[4-(1H-pyrazol-4-yl)-2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 126578741
N-[2-[4-(5-chloro-3-pyridinyl)-2-(trifluoromethyl)phenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
CID 126578730
N-[2-[4-(6-acetamido-3-pyridinyl)-2-(trifluoromethyl)phenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
CID 126586990
N-[2,2-difluoro-2-[2-fluoro-4-(6-fluoro-3-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 126578719
N-[2,2-difluoro-2-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 126578727
N-[2,2-difluoro-2-[4-pyrimidin-5-yl-2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide
CID 126578757
N-[2-[4-(2-acetamido-4-pyridinyl)-2-chlorophenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
CID 126578714
2-bromo-N-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]benzamide
CID 125465006
N-[2-[3-chloro-5-(4-chlorophenyl)-2-pyridinyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
CID 118025025
N-[2-[3-chloro-5-(4-isocyanophenyl)-2-pyridinyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
CID 140733406
N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392
N-[2-[3-chloro-5-(4-methoxyphenyl)-2-pyridinyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
CID 118033974

Frequently Asked Questions

What is the IUPAC name of N-[2,2-difluoro-2-[4-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2,2-difluoro-2-[4-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide (CID 121304779) is N-[2,2-difluoro-2-[4-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2,2-difluoro-2-[4-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2,2-difluoro-2-[4-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide is O=C(NCC(F)(F)c1ccc(-c2ccc(F)cc2)cc1C(F)(F)F)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2,2-difluoro-2-[4-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is PTOPWVMZCCSJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F9NO/c24-15-8-5-13(6-9-15)14-7-10-18(19(11-14)23(30,31)32)21(25,26)12-33-20(34)16-3-1-2-4-17(16)22(27,28)29/h1-11H,12H2,(H,33,34).
What are the key properties of N-[2,2-difluoro-2-[4-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide?
N-[2,2-difluoro-2-[4-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 491.35 g/mol, XLogP of 7.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-difluoro-2-[4-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 121304779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).